Indian automotive sector contributes nearly 7% to the GDP and at the same time is one of the highest you know employment generators direct as well as indirect nearly to the tune of 3.5 crores. We expect to the government to focus on job creation through committed investments like you know the entire infrastructure push as well as continued focus on ease of doing business as well as you know certain other initiatives like TLI under the Atmar in Bharata beyond which have been hugely successful. The industry has some specific expectations. I list on a few for example import duty reduction in parts. It will definitely be expected in case of especially lithium ion batteries introduction of a few new PLI schemes in the areas of safety for airbags continuation of pain to policies for some more years and also inclusion of land cost in the fame policy for chargers will help increase the adoption. GST lowering of GST for a few EV components will help in lowering the overall cost of ownership and will be expected. On the from long term perspective EV infrastructure and ecosystem you know people will be expecting certain you know significant support in the areas of battery replenish refurbishment reuse as well as recycle and you know the battery lending space which is both for EVs as well as batteries. If I have to lay out some of my key expectations on the corporate tax side I don't see too much of tinkering with the corporate tax rates. I think we are fine with the 25% effective tax rate for companies which are moved out of the incentives as well as about 17% effective tax rate for new manufacturing companies. What I would like to see however is reintroducing some of the incentives like R&D related incentives. India is looking to promote the startup culture the innovation culture and it is important to promote R&D. I would also like to see the employment related incentives limit to be increased from 25,000 to 50,000 perhaps as regards ESG and sustainability related expenses it will be good to have something in the budget as India is committed towards this policies.


Hello, friends. Welcome back to the channel. Hope you're all doing great in today's video. Yes, we got a brand new Pokemon Scarlet and Violet trailer earlier on today, a 14 minute long trailer. We got a bunch of information, probably not as much as what I thought we were going to get, but we're going to break everything down. We got a bunch of new Pokemon revealed, even though it wasn't quite obvious. We're going to talk about as well as everything else in the trailer and I'll just give you my input and opinions on everything that was unveiled today. Very exciting though. It's always nice to get a new trailer so that further ado, let's hop over and jump into it. So it starts off by going into four trainer's journeys throughout the Paldaea region. And so we get a bit of a glimpse at some different gameplay that we haven't seen before. And this particular clip is really interesting. We see the Quaxly, it's level 15 using Aquajet. It does about eighth of damage, I don't know, like not very much damage, maybe like 20% damage. And then it goes for the Taras Lies. And then we are able to see the damage on top of this. Now for competitive, it pretty much in my opinion confirms that the Tarastral transformation gives you that same type attack bonus on top of the same type attack bonus, stab bonus that you already get. Look at the damage here. You can see the damage is pretty much just about doubled. So I would say unless they've changed the stab from 1.2 in these games, then it looks as though Taras Lies gives you a 1.2 stab boost on top of the stab boost that's already there. Then we go into another clip here and we see a shining Pokemon in the wild. We're going to see how we're going to be able to interact with wild Pokemon that do have a Terra type as well. So they Taras Lies as soon as you kind of encounter them in battle. I do love the catch mechanics as well in this game. They look so nice. Get a bit of an overview of the Pokemon screen as well here. See the different overlays where you've got the Terra type identified as well as a regular type. And then it goes on to confirm as well that you are 100% able to get every Pokemon with one of the 18 types as its Terra type. Then a bit of a feature on the Let's Go mechanic as well showing it how it works in battle. And you can see in the little overlay down in the bottom left hand corner of the screen that if your Pokemon that you send out on that Let's Go feature goes in battles while Pokemon it goes and picks up items but then this icon kind of appears with the Pokemon that you're using the Let's Go facility with. So that's kind of nice and I do like the little overlay that it's got there. Get to see a facility with a map and bringing in something that feature that was used in Pokemon Legends Arceus is the the pins that you can drop around the the region. So you can get around traverse the areas a lot easier and make sure that you're heading to the right areas that you want to be going to. Then we move on to Starfall Street and see a bit of Team Star, a bit more of Team Star.  Also it's interesting as well here that we see in Wiglet and this is really early on in a trainer's kind of story I guess because the Pokemon are low level meaning Wiglet's gonna be probably available to catch quite early on in your playthroughs and then we get to see the truck Pokemon and a pre evolution of it as well if we just skip back a little bit here you can see as it's coming out there we go you can see just down here right here that it's probably it's pre-evolutional that's what it's been touted at this Pokemon here this is definitely a Pokemon I don't know if it's part of the engine or if it's a pre-evolution or just a different the kind of one of the same Pokemon that goes into this car we'll have to find out at some point I'm sure but we do get to see the leader of Team Star that we already know about Mela is the person that you have to defeat Team Star in this situation now this is an interesting part as well they go into depth about TMs and how they're gonna work within these games and you can see here you go up to a Pokemon Center one of these kind of gas station looking places and within there is going to be the technical machine machine is what they're calling it and this is where you're going to be able to craft TMs down the game they are going to be one use only so after one use they will break but you're going to be able to find items around the Paladir region to use to craft these TMs and you're also going to have to use a combination of league points which it does detail on the Scarlet and Violet website as well as other items like here you can see to craft some of these it's just going over area list here you're going to need Starly Feather and a Fletchling Feather to be able to craft this as well as 800 league points which I'm assuming you're going to get through the game as you go through the different story modes we don't know exactly how you're going to get them yet but you look at the trainer here in the top right hand corner and there's 5000 league points that they've got so TMs do cost a little bit but not really too much in comparison to league points when you're doing this probably at a very early stage in your playthrough but we get a bit more information about the TMs here and what you can buy and I'm assuming that every different TM is going to be be available to craft at different Pokémon stations or Pokémon stops as you go around the region and they'll all kind of vary as you progress through the game using different items that you'll get the further you progress so that's a it's a different way I like kind of how you're able to craft them but I don't like the one use it's coming from previous generations where they had unlimited uses it's like a little bit of a step backward but I think it'll be fine I think it'll be fine then we get a bit more about battling the Titan Pokémon and we get to see a little bit more about this new move Terrablast which is going to be a big part of the terastalizing of your Pokémon and you can see some damage here with icy wind as an example onto the cloth and it does decent damage to be honest and then we do see the Driflim Bracelize and then it turns into a grass type and uses Terrablast and you can try and work out what base power this is but it does get stabbed on top of it I'd still probably guess that it's about 60 base power we don't really know what the stats are of cloth it's also it's kind of hard to gauge but I think between 60 and 80 base power is where we're probably looking for Terrablast wouldn't have said any more than 80 then we get to the next juice of this trailer as we see trainers trading from anywhere in their adventure on the Paldaea region one of them gets giraffe rig and if you've already been aware of the leaks you'll know what is coming as this giraffe rig is about to evolve but we didn't know the name of it and I'm gonna let the trailer say it before I say it seems like giraffe rig has involved into ferrigaraf ferrigaraf is what giraffe rig evolves into ferrigaraf that's gonna be way hard I want to remember for me at least I don't know I don't know what you think I like the name it's kind of a playful isn't get to see artisan a new town this is gonna be all about victory road story the gym leader story as well so that's gonna be good and we get a bit more of a glimpse at the the gym leaders not really much revealed here the gym leader that we see has already been revealed we do get confirmation that you're gonna have to do gym challenges before you actually take on the gym leaders which is a gym test essentially I'm not the biggest fan of a gym test I prefer just to kind of go into a gym battle a bunch of trainers battle the gym leader and then get my badge the kind of prelims stuff that you've got to do before you can even get into a battle it's I'm not the biggest fan of let me know down below what your thoughts are on it of always feels a little bit faffy to me and I just want to get into the gym and battle you know let me get a little bit of a showcase of tracelize and again with the gym leaders making sure you know they are going to be able to tracelize their Pokemon they'll probably be based on certain types their terror types based on the gym I would imagine from leak information that we've had that's pretty much how it looks like it's going to go Fido does go for tracelizing as well just to show an example of defensive play when you can you know transform into a type that resists something that your opponent's hitting you with to show you the capabilities of it on that side as well so it's just an example of how that works next up is a big part of the trailer as well it goes into the customization of characters which is pretty huge there looks like there's a lot of options here for trainers to go in and be able to customize their own character a lot more than we have done in previous games which is pretty cool you know so it's something that a lot of players really do value within the games and you know I like messing around with it myself to get your character looking exactly like you want and just having that bit more customization in the games is going to be even even better it gives it a bit more of an immersive feel so you can see the trainers as well have access to a kind of a selfie picture facility so you can design your own trainer card and interesting to see the things on the trainer card as well and you can see the options here you've got badges collected so three here you've got the Pokedex so how many you've caught and it kind of does clarify 100% confirm the shiny pokemon will be in pokemon skull in fact recipes collected as well so that's in regards to the next part of this trailer which we'll get into in a second and then your total play time so it's just a standard trainer card it's just got some information that elaborates a little bit more on some of the facilities in the games next part is going to be picnics picnics are going to be a huge part of this game I feel you're going to be able to do a bunch of different interactive things with your pokemon in these picnics you can wash them you can clean them restore their HP while they're doing that and probably affection as well so you can evolve them through friendship and things like that it's going to be done probably in this picnic facility obviously here you can play around with your pokemon and this is pretty huge as well it does show a clip here of the trainer playing with its pokemon and then going to the basket at the table and as you can see the text here there's a pokemon egg inside do you want to take it so I don't know whether this is going to 100% replace like a daycare center where we would normally have a place where we can put two pokemon in and then they produce an egg for breeding especially this is good for breeding shiny pokemon breeding competitive pokemon they've been huge key cornerstones in pokemon generations in the past whether they're changing that mechanic going forward and this is how you obtain pokemon how you breed pokemon through some sort of mechanic when you're playing with certain pokemon in the picnic area and then you get your eggs this way be interesting to see I don't know if it'll replace it or if this would just be an additional thing where if you get an egg from a picnic basket it's got an increased chance to have like perfect IVs or increased shiny chance or a better terra type or something along those lines it'd be interesting to see how that kind of plays into Scotland Violet and the picnics and things that are going forward but let me know is it going to replace the daycare center or is it just going to be an additional feature and part of this whole picnic paper that we're seeing right now and then it's sandwich time so we head over to cook and mama over its subway here and we make sandwiches and these are replacing what would be curries in sword and shield yes so this is it and you know it's interesting because as soon as I saw this as like from that first trailer that when it pans around the room the very first trailer announced in Scotland Violet there was that baguette on the table reference reference right here so yeah you create these these are going to be your recipes that you collect I guess along the way that you are on your trainer card that we saw a little bit earlier and I'm guessing different sandwiches will reward different things in game as you can see you're going to get a boost to catching power for fairy encounter power for grass and then raid power for ground so you're going to boost all of these things that will play into how you experience other aspects of the game as well the other interesting thing here is as well I forgot to mention this in the cooking if we see when we go into this I just want to come back to let's say here okay down here on the left is a Paldane Woopa Paldane Woopa remember this now when they're cooking can we call sandwich making cooking when they are making the sandwich or baguette however we're calling keep an eye out for the pokemon when they decide to eat it because this is kind of interesting right we did see it that is a regular Woopa here so whether or not this is just a glitch with this footage this is some final footage it is just promotional footage but it is part of the game so it's interesting to see that there is a regular Woopa here although in the picnic area it was 100% a Paldane one so I don't know two different scenes potentially whoever was doing the trailer playing the games may have had a tough time doing that initial sandwich but it may confirm that the native the original Woopa is in these games as well as a Paldane one so that is interesting something I just picked up on when I was watching it next it goes into a bit more court play and goes into a terror raid there's not really too much we could need to talk about in regards to terror raids we know that when you go into a terror raid you're going to be able to find pokemon with more rarer terror types I think these this feature is going to be really cool we have raids in pokemon sword and shield but they're going to be very similar look like they're more real time though in pokemon skull and violet which is something that's been pointed out before and you can see this is a chancey with its ghost terror typing and all you need to do is to defeat it in battle and then you'll be able to catch it there's not really too much more in this that I'm going to really discuss because we know pretty much most things about the terror raids so I'm just going to skim through this because this is pretty much all information that we know about with cheering and stuff stuff like that and I think this comes to the end of the trailers here that's it and that is it there is not much more for us to see here so that is pretty much the entire trailer there so that pretty much rounds up everything that we got today there is a bit more information that was hidden within these trailers we'll just talk about them now there is this picture that was pulled up this is actually on lute's twitter page it was posted a bunch by different people but I'm using this image in particular it does show a brand new pokemon here and this was followed up by ridley coup on his twitter account and he identifies this as pre-evil so it is going to be confirmed it's a leak but confirming that it is a pre-evolution of serial edge or armor rouge one of the two new pokemon that we've got in the games as well so this is the pre-evolution of this pokemon so that's pretty cool that it was just handstover in the trailer the next one that we got as well because it wasn't just one there was quite a few is this bug sort of pokemon here now you can kind of see through the overlaid text here there is something in the background here when this trainer is taking a selfie you can't really get a clear picture of it but it's definitely an easter egg left in the trailer for people to find and then obviously as well ridley coup posted an image of it moving round on lute so you can get a bit of a better picture of it here on this screen where you can see it kind of moving around so I don't know what it is but it's kind of interesting and it's definitely a bug type pokemon whether or not it's a spider type who knows and the final bit of information was this map overlay which does show off three new pokemon it confirms that rukadii covenite are going to be in the games as well but it does show these three other new pokemon here we've got these mice pokemon here which are kind of like a dual pokemon which is really cool they do have different forms as well and then you've got this kind of parakeet pokemon as well which we've not seen at all before now and then this mushroom looking pokemon which is who knows what it is but it looks very cool and I definitely want to use one but these are kind of hidden away in the trailer as well as we were going through the trailer we kind of pointed out this part of the kind of the vehicle pokemon that we uh saw from team star so we've already talked about that one but these three pokemon here with that rukadii super interesting and weird that they kind of just had them in the trailer but didn't elaborate that on them you know we're only a month out from the game's dropping so it was interesting that they didn't really touch upon them at all but that's from blaze and sinarol who collated all of that information we got a lot of things unveiled in today's trailer but we are left with a bunch more questions I would love to hear your thoughts on everything that was revealed in today's trailer I was unfortunately at work today when the trailer dropped so I couldn't do any live reaction or kind of get anything up quickly but I did want to put my two cents on what we've seen today hopefully you've enjoyed today's video as always thank you so much for tuning in and I will see you all for another video very soon I'm gonna go to bed good night


Everybody forced here rip in 22 23 optic choice basketball five bucks number eight random teams We're gonna random right now and do the break in the same recording. Good luck everybody and thank you for joining That's a 10 first seven. I haven't rolled tonight. I think actually pair of fives will go 10 times one two three four five six seven eight nine and ten Brandon be down to will M ten times on the teams one Two three four five six seven eight nine and ten Okay, see down to Sun's Raptors Brandon be thunder Keith be Hawks apology nuggets T lock bulls Michael G. Nick's Jose are Nets Clippers Jason a spurs Brandon be bucks Jason a Blazers G a cheat Kara has the jazz and Celtics Chris F sixers Jason a Mavs Roberto Kings Adelot Warriors Jason a Lakers Stefano Grizzlies Nixie Rockets Han W Pistons Joshua P Pelicans or you'll see Pacers Marvin and Cavs Sean P magic Jacob C Jacob P with the wolves Chad s Hornets Nixie Wizards will M Sun's Raptors What up Randy? There's your link everybody in chat right now find those anytime of late in sports cards calm Results tab Good luck y'all. That a run. That's got to be run. Yep. Jared ran so fast makes fast. We blow not fast My goodness Straight line. There's guys that are faster, but like around the base is Ellie's the fastest Like steals wise Ellie is not the best Cuz it's like his like 90 yard is like, you know what I mean, but like when he gets like I don't know yeah Yeah, the top speed is crazy and it's like sustained Hollow pool Warriors and a Bajie for the jazz. He's getting like a lot of triples basically Yeah, that's like Bajie clean-looking card there red choice auto Utah. That's gonna be Carlos boozer Nice hitting Utah He was a beast back in the day. We got red 88 Marcus Moore senior Clippers black and gold Rudy go bear for the Minnesota Timberwolves Go bear to eight four of eight Minnesota Red and green Zaire Williams Grizzlies Rookies Bulls Dale and Terry jazz. Oh Jack Bajie. Got a hollow and the choice of Bajie Internet's back though Internet back oh, yeah Are you got hollow Simmons and Rashawn Holmes rookie optics autographs AJ Griffin Hawks Seal the draft as some people call them ready 88 wolves ready to go bear Rated rookie Benedict Matherin 88 there we go Pacers Good card Red and green Dramon green Warriors and rated rookies Pacers Kendall Brown Hornets Bryce McGowan's Hello, Okoro Cavaliers Kelly Ubray Hornets Dale Ellis on the Sonics retro auto here Sonic scale to the Thunder red 88 Markel Fultz magic Red and green Jay Crowder Bucks Red rated rookie spurs Blake Wesley to 88 And rookies of Nemhardt for the Pacers and Easton For the Rockets Come on for do go walk. There you go. Here you go. Good. I could I Good day. There's a hollow sex than jazz Rashawn Holmes Kings a retro auto penny hardaway for Orlando Red 88 Chris Duarte. I'm just making stuff up. Chris Duarte for the Pacers black and gold Alex Caruso Chicago the Caruso Out of eight that is a Two two of eight. Yeah two of eight eight minus two Jersey number. There you go. Red and green commingo Warriors rookies Diabata for the Clips and jang for the Thunder Come on Nebula right here Nebula right here. We got to see it hollows of holiday for the Bucks and Tyus Jones Grizzlies Andrew Nemhardt rookie optics autograph for the Pacers good break for Indiana Ron James red 88 Lakers Red and green Yannis onto the Goomba Bucks Another red and green here rated rookie Hawks Tyrese Martin and Rookies for the Warriors Ryan Rollins and for the Lakers Max Christie that does it for the break. Thanks again everybody for the Phil moving on to some more basketball


The work that I've done at the Mercatus Center has been devoted to the idea of articulating and defending the permissionless innovation vision. My name is Adam Theer. I'm a senior research fellow at the Mercatus Center at George Mason University. So when I think about what has made the world a better place in my own lifetime, what specific policy issues have really driven the ball forward, I really think it's come down to the fact that America has embraced the idea of permissionless innovation for new dynamic digital sectors and information economy sectors. This is something that is a real clean break from the past, from the era of heavily regulated communications and media sectors that ended up denying us choices as a people. But now we live in a world where we have far more informational abundance precisely because we allowed for greater experimentation in these sectors, like the internet and the digital economy. So going forward, the work that I've done at the Mercatus Center has been devoted to the idea of articulating and defending the permissionless innovation vision and applying it more broadly to other sectors and technologies that have been lucky enough to allow for that sort of experimentation and ongoing innovation.


Welcome to the second session of the BioXL building blocks lecture of this BioXL summer school. We are here in the second session, Computational Biomolecular Simulation War Flows using the BioXL building blocks. It's going to be 30 minutes with that and after that remember that we have a query and answer session. So please take notes and be prepared to answer a comment or suggest everything that you wish to know from the BioXL building blocks. After that we'll have a virtual break, 25 minutes, and then we have the final session today which is the hands-on session where we are going to work all together on a Jupyter notebook, trying to set up molecular dynamic simulation of a protein-league and complex using the BioXL building blocks. From the previous presentation you already know what are the BioXL building blocks, what is the philosophy behind the software library, you know that if I have convinced you that you can easily build workflows, biomolecular simulation workflows using these building blocks and you also know that you can control these workflows, you can orchestrate them using different workflow managers, graphical user interfaces such as iMoreGalaxy and also Jupyter which is the one that we are going to use today in the hands-on session and also HPC-based workflow managers such as PyCons or Toil. The tutorials that we have in the website are these four that I already presented in the previous presentation. They are all built in Jupyter notebooks. We like a lot Jupyter notebooks and I will tell you now in a moment why we chose Jupyter notebooks for our demonstration workflows. We chose Jupyter notebooks in general because we think it is a fantastic tool for training events like the one that we are going to have in this afternoon session. We think that it's really nice to be able to inspect intermediate results like the one that you have here which is a three-dimensional structure seen using the NGL viewer. It's really nice to be able to interactively modify the parameters for all your different steps in the workflow so imagine you want to change the type or the size of the box in your simulation or the number of steps in your final simulation. For example, it is really easy to modify the parameters and run it. You know that you can run cell by cell the different steps of the workflow. I know that because you already used Jupyter notebooks for the morning session in Gromax so you are already familiar with Jupyter notebooks and they also have the possibility to run the whole workflow in MyBinder. We are for the ones that are not familiar with MyBinder we will see an example in this presentation and I will tell you about this. But it's not just all of these general keys and functionalities of the Jupyter notebooks. There is also particular things that are really interesting for us for the BioXL building blocks. One of them is to be familiar with the BioXL building blocks syntax so with the Jupyter notebook it's really easy to understand the syntax and you will see that in a moment. It's also easy to understand how to build workflows using these Jupyter notebooks and you will see also that using the tutorials that we have already prepared for you. And it is also easy to understand how one can package the workflows with the quantum packaging system to export these workflows and make them reproducible and shareable in the community. We will see examples of all of that. We will start with the, be familiar with the BioXL building blocks syntax. Here you have an example and it's really easy. This is an example of one particular building block which is called EditConf. As you can imagine it is a wrapper of the EditConf tool of the Gromax AMD package. That is the one that is generating this fantastic box, system box for the AMD system. The way in which you use the building blocks is always the same. You have a first part when, where you import the module that you need. In this case we are importing EditConf from the BioBVMD category, MD module. After that you define inputs, outputs and properties. In this case we are defining this output property which is basically a path, a name of a file that will be our output file, our result. And then the properties which are the parameters of in this case the EditConf tool that is being wrapped by the building block. In this case we are selecting that box type, a cubic box and a distance to molecule of one nanometer. Remember that Gromax is working always in nanometers. This property is here thanks to this layer that we have, this input parameter adaptation. These parameters are adapted to the tool execution parameters, to the local input parameters. That means that this cubic will be transformed if you remember from the morning session to a minus C parameter for the EditConf and the distance to molecule will be transformed to a minus D. But this is internally, you don't need to know that, you just need to know the properties that you can put in the building block. And after that it's just launching the building block. Inputs, outputs and properties, it's always the same, the name of the building block and the launch at the end, always the same. So here the input, usually an input of one step of a workflow takes the output of the previous step of the workflow and that's exactly what is happening here. So this input, this output PDB2 Gromax is, as you can imagine, is the output of a previous step where we run a PDB2 GMX tool to prepare the topology for the Gromax simulation. We put the output path, which is this one that we prepared here, and we put the properties, which is this dictionary that we have prepared here. Always the same and you will see that inputs, outputs and properties in the rest of the workflow and the rest of this presentation. Examples of that. You have seen an example of an edit conf. Here is an example of how to mutate a residue. This is a particular example. We are mutating an arginine to an alanine that you can see here using the modular tool. So we are wrapping the modular tool. Here you have the import of the module. Here you have the definition of the inputs, outputs and properties. Again, only an output and the properties because the input we are taking the output of the previous step, which is this fixed PDB. We call the mutate with inputs, outputs and properties. Again, it's exactly the same syntax as before. Here is an example that I took from one real example. Actually, that's why you have here the different comments and etc. But this is a real example. But this is the same. Importing the module. In this case, we are trying to generate a cluster of an ensemble of structures from a trajectory using the Gromax cluster tool. We import the module. We define the inputs, outputs and properties here. In this case, we define inputs, trajectory and topology. We are taking our PDB as a topology. We define the output, ensemble.PDB, just a path to a file. And we define the properties. In this case, we define that we want to fit the selection to just the protein atoms and we want to output the ensemble of structures, just the protein atoms again. And we launch the cluster building block with inputs, outputs and properties again. Always the same. As you can imagine, now these are different tools, modular and Gromax, but less the syntax for the biaxial building blocks is exactly the same. More examples. It will be more difficult. In this case, what we are doing is to call different building blocks and joining them together. How are we joining that together? It's really easy. So we are taking the output of the first one and we are using the output of the first one for the inputs of the second one. Let's see the example. We are here importing the modules. In this case, we are importing a couple of modules. Actually, we only need this one, which is the ligand one. We define inputs and outputs and properties. And we launch the building block. In this case, the building block is a REST API. It's wrapping a REST API that it's downloading a ligand extractor from one PDB mirror. So in this case, we are downloading the ligand extractor, which has a code IVP, which is the ibuprofen, DRAC. This is downloading the extractor in a PDB format. We are using this input extractor is the name of the file that we are using as an input for the second step of the workflow, which in this case is adding hydrogens using the open bubble tool. Again, importing the module, defining inputs, outputs and properties. Here we are just defining one output. We just leave the properties by default. All the properties by default. We just need to add hydrogens. We put the inputs and outputs here. We don't care about the properties. And we launch the building block. This is generating the hydrogens to the ligand that we have downloaded in the first step. Here we are just taking a look with NGL viewer at the extractor with the hydrogens added. In the third step, we are taking the output of the second step. What we are doing is minimizing the energy, minimizing the extractor with the newly added hydrogens and atoms. Again, the same. We are importing the module, defining inputs, outputs and properties, launching the building block. Finally, the last step of this mini workflow, we are using AC pipe tool to parameterize, to obtain parameters for this particular ligand, the hypoprofen ligand, to be used in a molecular dynamic simulation. In particular, we are interested in the parameters for the GROMACS package. We import the module, we define inputs, outputs and properties and we launch the building block. This example is a mini workflow, really easy, as you can see. We are using the building blocks, wrapping REST APIs, wrapping OpenBable, wrapping AC pipe, different tools, but with exactly the same syntax. Basically, this workflow is the demonstration workflow that you have here as an example, which is called automatic ligand parameterization. What you have here is more information and you will see that in a minute. But the workflow is exactly the same as easy as that. The second point that makes Jupyter Notebook so interesting for us in the for the BioXL building blocks is that it allows you to learn how to build our workflows. This is basically done because we have already generated these tutorials for you and you can take a look at the tutorials. This is another one of the tutorials, this one here, protein MD setup. You can see that the Jupyter Notebook has a lot of information and documentation about what the workflow is doing, what is taking as an input, why the modules that we are using, the auxiliary libraries that we are using, etc. So it's a lot of information because of this markdown possibility for the Jupyter Notebooks. Here, again, information about one particular step. This is the step where you create the protein system topology using this PDB2 Gromax, PDB2 GMX tool. This is the building block wrapping the PDB2 GMX tool in Gromax and look at that. It's import the module, creating or defining inputs, outputs and properties, in this case no properties, and creating and launching the building block. It's exactly the same syntax. This is generating the topology using this PDB2 GMX tool. You can, of course, visualize the structures generated using, for example, NGL, and you will see examples of that in the hands-on session this afternoon, but you can also see intermediate results in a way of plots like this energy minimization. You can see how nicely it's reducing the energy of the system during the energy minimization in Gromax. Here is just pure Python. This has nothing to do with the building blocks, but it's just to illustrate you can mix the building blocks with pure Python, and this is included in the example in the protein MD setup. Actually, for the ones that are able to understand that, it's a special price because this is from one of our developers, Pawandrio, which likes a lot to mix map, list and zip from Python in one single instructions. It's not easy to understand, but this is basically taking the information from the energy, these numbers here, and it's generating this plot using the plot library. This is something that you can do with the Jupyter Notebooks, which is really nice. This particular example is the one that we are going to work this afternoon, and it's basically the sum of the protein MD setup and the ligand parameterization. We will parameterize the ligand, we will sum up the ligand endostractor, and then we will run the monochromodynamic setup of everything, the protein ligand complex. Finally, the Jupyter Notebooks allow an easy way to understand how to package the workflow and to make it shareable and reproducible. Let's see what I mean by that. If we want to start with a workflow, a bimodular simulation workflow using the BIOXIM building blocks, the usual thing to do is to create a new conda environment, that it's just one instruction like this, conda create. Of course, you need to have a conda installed in your system, but we also have tutorials for that. You can go to the website and you have tutorials to install the conda, and you will see that in Windows, in Mac, and in Linux Operator System. It's really easy. Once you have the conda environment, you create a conda environment with this command line here, with one particular name, the one that you want.  For example, I'm going to install the bio-bibic chemistry module of our package. You know that we have the BIOXIM building blocks divided in different categories, so this is just one, the chemistry, and I'm going to install this. After that, I can just type Jupyter Notebook and open the Jupyter Notebook and start working with the Jupyter Notebook. This conda install will install, remember all the dependencies needed for the chemistry building blocks to properly run. Here you have all the modules that we have, and you need to look at the different bio-condas that we have here and to understand which one of the packages you need for your workflow and install these packages accordingly. This one's here. You can also go to the bio-conda repository and you will find all the bio-bibic packages in the repository. How can you export a workflow using these conda packages? Really easy. What we are doing is to generating one file, one particular file that is called environment.yaml, and this environment contains all the dependencies needed for a particular workflow. If you remember from the automatic legal parameterization that I have shown you just a minute ago, we needed the bio-bibic input output to extract the ligand from the PDB mirror. We needed the chemistry that is wrapping open-babel and AC pipe, and we also needed the common, because we always need the common for all the modules in the bio-conda building blocks, and then we just need nb-conda kernels, which is an auxiliary package to allow Jupyter notebooks to be able to see the conda environments, nglb to see the molecular structures, and the conda by itself. This environment.yaml is telling conda that all these dependencies need to be installed before running the particular workflow. We generate for each of our tutorials this conda environment, this environment file, and we put this file as you can see here in the GitHub repository, and that makes the installation on launch of our demonstration workflows as easy as these lines here. So for all of the tutorials that we have, you just need to clone the repository in your machine, enter into the folder which contains the source code, create an environment. How do you create the new environment? Using this environment.yaml file, which is able to install all the dependencies that you need for the particular workflow. So this conda create will install everything that you need. Then you activate the new environment, you just enable a couple of extensions for the Jupyter notebooks to be able to see the structures with nglb, for example, and you execute the Jupyter notebook with the particular tutorial. That's all the steps that you need to share your workflow built using the BioXL building blocks, as easy as that.  The binder is able to just with a GitHub repository URL go to the repository, understand that this environment.yaml is the environment all contains all the dependencies for the particular workflow is able to read, this is able to install all the conda packages, and then it automatically starts the Jupyter notebook with all the dependencies already installed. So you can play with the workflow in this my binder public interface. This public interface, of course, being public, it doesn't have a lot of computational power. Sometimes you get the timeouts because they are offering this for free to everybody. And that's why we are working in BioXL to integrate a local my binder installation in our BioXL cloud portal. Our BioXL cloud portal will contain all the Jupyter notebooks that will be automatically deployed using this my binder in our cloud infrastructure in the YAML EBI premises. This is coming very soon. And we will use that to control the number of machines that we'll be able to deploy, the number of workflows that we will be able to work with at the same time, and basically to do type this type of training event like the one that you are today. So BioXL building blocks workflows. How can you start to create the workflows?  It's the easiest way to start using building workflows using the BioXL building blocks. Once you have the conda environment created, you launch a Jupyter notebook installed inside the conda environment, and then you start connecting the building blocks. You know that there's a unique syntax for all the building blocks. You just need to write them and connect them. I think that there's two different ways that you can start building workflows using the BioXL building block. One is to clone existing tutorials, such as the four that we already have in the website, and then start playing with the tutorials. It's a way to start understanding how you can modify the building blocks and how you can connect them together, or starting a new workflow from scratch. I will start with this one, which is easier, and now you already know how to do that, because all of our tutorials contains a set of lines on how you can install and launch the workflows. You know these ones. They are exactly the same in all of the different workflows. The only thing that are changing are the dependencies needed for the particular workflows to properly run. Here you can see that we have more modules. We have building block analyses. We have the BIVB2 model extractors. We have the BIVB2 run molecular dynamics simulations. You clone the workflow in your local machine, and you start looking at the documentation that is inside, and start playing. For example, the easiest way to start playing with this is taking the protein MD setup tutorial and modifying the BIVB code, which is the input parameter of all the workflows. The one that is by default is a Lysosine protein. If you run the entire workflow with this Lysosine protein, it will generate a system completely prepared and equilibrated to start running molecular dynamics simulation for this Lysosine structure. But if you modify this one, you can go and put something like Parapydoid kinase, a really complex protein, and see if this still works with the complex protein, or you can put a DNA, or you can put a protein DNA complex. So it's just modifying this BIVB code here, and you can play with the workflow. Of course, you can modify directly the building blocks. So in this case, for example, it's really easy. You take the properties of the building blocks and try to modify. You can modify the type of the box for the system, the molecular dynamic system, from QB2, wherever, or to Romberg, for example. You can modify the distance to the molecule. You can modify the ionic concentration, for example, of the molecule. You can, of course, modify the number of steps of the unrestrained simulation, the last step of the MD setup workflow. You can try to take different observables from the information that is produced by the Gromach's energy building block. Here we are extracting the potential, but you can extract the temperature, you can extract the density, just modifying the keyword here, and you can see what happens with that. Just a note here. We have, inside the building blocks, we have something that are a little bit smart. There is, for example, for the MDP. If you remember the molecular dynamics configuration file for Gromach's from this morning session, it has many, many, many different properties. Actually, it has so many properties that we have a dedicated webinar in BioXL. You can go to the bioxl.eu webpage and try to find it. Talking just one hour about different options for the MDP configuration file in Gromach, so it has so many different options. But there are some of these options that are repeated usually in these processes that are done in each and every molecular dynamic setup pipeline, which is the minimization of the energy, the NVT equilibration, MPT equilibration, and the unrestrained free molecular dynamics. We built these preconfigured MDP files for you, and you just need to type in the MDP property that the type of simulation that you want is a minimization, an equilibration, or an unrestrained simulation. And this will be prepared for you automatically. Of course, you can overwrite these properties then, these parameters here. For example, here we are overwriting this EM tool that was by default 1,000, and we put here 500. This is something that is inside the GromPP BioXL building block. You cannot build in blocks, of course. Instead of modifying, you can start trying to play adding new building blocks, and you can do something a little bit complicated, such as introducing a simulated annealing equilibration step, which is not present in the tutorials that you have in the website. Just putting all the needed key comments into the in the MDP configuration file. A little bit of caution here, because this is only running in GromEx versions 2019.2 or higher, because there is a back on the simulated annealing. But this is an example that you can do, or you can, for example, introduce a mutation in the protein MD setup workflow and see if you can still run the whole pipeline with a mutated structure and see what happens. It's really easy to add a new building block. If you want to go from scratch, what will you need? You will need to take a look at the table that you have here that is always updated, because we have this table in the website connected to the GitHub repo using hooks. That means that every time we modify a version of the source code, this table is automatically updated. And you need to think about what you want to do. For example, I want to start working with a ligand. I will put here in the search by text that I'm interested in ligands. And I will find something like a building block that is downloading a ligand file from a REST API. That's fantastic. I want to start using this. Then I should click on the documentation for this particular building block. Actually, the documentation is for all the module, all the input-output package. When you click on the documentation, you will find the read-the-docs typical documentation. You click on the Python API, you will find your building block that you are interested in, the ligand one. You click on the ligand, and you will obtain, guess why, inputs, outputs, and properties. It's the only thing that you need to know to run the building block. So in this case, you know that there is no input needed for this particular building block, but there is an output, and there is a properties that you can put, for example, the ligand code, which is interesting. And then you can start writing, importing the module. Actually, we just need the ligand one here. This pdb shouldn't be here. Defining inputs and outputs. Remember, we don't need inputs. We just need an output. So we define, although it is called input structure, it is an output. It will be used as an output here in the launch. And we define also the properties. In this case, the ligand code. These are properties, and the ligand code is the ibuprofen. And we put the properties here, and we launch the building block. This is how you write one building block, and then it's just a matter of connecting the different building blocks, one with the other. Examples of that, different examples. EditConf, for example, building block. You click on the read the docs. You will find all the information, inputs, outputs, and properties. Here you have the properties, the distance to molecule, and the box type. They are both of them. This is a string, and this is a flow-out. And here in parentheses, you will have the default parameters for them. So we go to the Jupyter notebook. We import the module. We define inputs, outputs, and properties according to the documentation that you have here, and we run the building block. Don't worry, we will have time this afternoon to understand all of that, and to go one by one with the different steps of the protein ligand complex MD setup simulation. The same for another example, which is the mutation example in another module. It's exactly the same. You go to the documentation, input, outputs, and properties. In this case, you have different inputs, as you can see, and properties, and you do the same here. In this case, what is different from the other one is that we are using a docker container. We are not wrapping a particular tool installed in the system, but we are wrapping a docker container. The building blocks has also the possibility. And you will find all the properties here to use a container, a docker container with the building block. This afternoon in the hands-on session, we are going to prepare a protein ligand complex. We are going to split the protein and the ligand from the PDB file, parametrize the ligand, obtain the protein topology in a separated way, and then join together the protein and the ligand topologies and structures, and then run the setup of the whole system. After that, there is a quality check analysis, RMSD, and radius of variation that we will use probably, for example, to analyze, to see the results in a graphical way. And after closing this second session, let me just introduce really briefly what you can do with the workflows, by actual building blocks workflows in a common line way. As you can imagine, you can export directly the Jupyter notebooks. Here you go to download as Python script, and you will generate, you will have a Python script with all your workflow, and you can, of course, run this workflow in a common line way. But this has some disadvantages, like there's no graphical cells, of course, you are losing interactivity, but you are gaining high throughput, so you can automate it, you can run it many, many different times, because this is a common line workflow now. The problem with that is that if you want to modify the parameter, if you want, for example, to run this 100 times, you need to modify the parameters for a certain step inside the Python script. And for that, we have another way of doing this, which is the command line interface Python and YAML, splitting the workflow into the workflow script in the Python and the workflow parameters, remember, inputs, outputs and parameters, and the dependencies between them, between the different steps in the YAML file. If you are interested in that, we are not going into details today here, but you have a command line workflow tutorial that will explain how to do that, how to convert from the Jupyter Notebooks to this command line way of running the BioXL Building Blocks workflows. And with that, just a summary of everything, so Building Biomolecular Simulation workflows is really easy with this BioXL Building Blocks library. I hope that I have convinced you about that. If not, we have this afternoon session, the hands-on, where we will try to convince you even more. You just need to create a conda environment, be a little bit familiar with the syntax, the BioXL Building Blocks syntax, and start connecting the Building Blocks together. So Jupyter Notebook Graphical Use Interface, as you have seen, is a really good tool to start playing with these Building Blocks. And you can package all the workflows with the conda packaging and export the workflows in a really easy way. And finally, you can export your workflows to a command line way of executing if you are interested in high throughput. And now, please join us together for the query and answer session, together with Pao Andrio and Janice Viary. And thank you all for participating in this BioXL Summer School.