Update README.md

README.md

@@ -1,3 +1,54 @@
----
-license: cc-by-nc-4.0
----
+---
+license: cc-by-nc-4.0
+datasets:
+- NingLab/MuMOInstruct
+language:
+- en
+base_model:
+- meta-llama/Llama-3.1-8B-Instruct
+pipeline_tag: text-generation
+tags:
+- chemistry
+- molecule optimization
+---
+### Model Sources
+
+<!-- Provide the basic links for the model. -->
+
+- **Repository:** https://github.com/ninglab/GeLLMO
+- **Paper:** https://arxiv.org/abs/2502.13398
+
+## Usage
+
+For instructions to run the model, please refer to our repository.
+
+## Bias, Risks, and Limitations
+While our models are designed for research and drug discovery applications, 
+they come with ethical and safety considerations:
+
+1. **Potential for Misuse:** Although the model is not explicitly designed to generate toxic,
+controlled, or harmful compounds, adversarial prompts or unintended biases in the pretrained model 
+may lead to the generation of undesirable molecules.
+2. **Unintended Harmful Outputs:** The model does not inherently filter out molecules with high toxicity, 
+abuse potential, or environmental hazards. Users must implement additional safeguards to prevent misuse.
+3. **Absence of Built-in Safety Mechanisms:** The model does not incorporate explicit regulatory or 
+safety filters (e.g., toxicity or compliance checks). 
+It is the responsibility of users to validate generated molecules for safety and ethical considerations.
+
+We urge users to adopt best practices, including toxicity prediction pipelines, 
+ethical oversight, and responsible AI usage policies, to prevent harmful applications of this model.
+
+## Citation
+
+If you use the trained model checkpoints, datasets or other resources, please use the following citation:
+```
+@misc{dey2025gellmo,
+      title={$\mathtt{GeLLM^3O}$: Generalizing Large Language Models for Multi-property Molecule Optimization}, 
+      author={Vishal Dey and Xiao Hu and Xia Ning},
+      year={2025},
+      eprint={2502.13398},
+      archivePrefix={arXiv},
+      primaryClass={cs.LG},
+      url={https://arxiv.org/abs/2502.13398}, 
+}
+```