| --- |
| license: cc-by-nc-4.0 |
| datasets: |
| - NingLab/MuMOInstruct |
| language: |
| - en |
| base_model: |
| - mistralai/Mistral-7B-Instruct-v0.3 |
| pipeline_tag: text-generation |
| tags: |
| - chemistry |
| - molecule optimization |
| library_name: transformers |
| --- |
| |
| ### 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: |
| ``` |
| @article{dey2025gellmo, |
| title={GeLLMO: Generalizing Large Language Models for Multi-property Molecule Optimization}, |
| author={Vishal Dey and Xiao Hu and Xia Ning}, |
| year={2025}, |
| journal={arXiv preprint arXiv:2502.13398}, |
| url={https://arxiv.org/abs/2502.13398}, |
| } |
| ``` |
