Spaces:
Running
on
CPU Upgrade
Running
on
CPU Upgrade
| # HTML title for the application | |
| TITLE = """<h1 align="center" id="space-title">FAIR Chemistry Leaderboard</h1>""" | |
| # Main introduction text | |
| INTRODUCTION_TEXT = """ | |
| ## Welcome! | |
| This space will host the FAIR Chemistry team's series of leaderboards across the different chemical domains, e.g. molecules, catalysts, materials. | |
| Leaderboards previously hosted on EvalAI ([OC20](https://eval.ai/web/challenges/challenge-page/712/overview)) will also be migrated here in the future. | |
| ### 🧬 OMol25 | |
| This leaderboard showcases the performance of various machine learning interatomic potentials (MLIP) on the Open Molecules 2025 (OMol25) dataset. | |
| OMol25 represents a diverse, high-quality dataset uniquely blending elemental, chemical, and structural diversity. | |
| For more details about the dataset and evaluation metrics, please refer to our [paper](https://arxiv.org/pdf/2505.08762). | |
| #### Evaluation Categories: | |
| - **S2EF (Structure to Energy and Forces)**: Test and Validation splits across different molecular categories | |
| - **Specialized Evaluations**: Practically relevant chemistry tasks to evaluate models beyond just S2EF metrics (i.e. ligand-strain, spin gap, etc.) | |
| For details on how to generate prediction files for submission, please refer to the documentation provided [here](https://fair-chem.github.io/molecules/leaderboard.html). | |
| """ | |
| # Submission instructions | |
| SUBMISSION_TEXT = """ | |
| ## How to Submit | |
| To submit your model predictions: | |
| 1. **Prepare your predictions** in the required format (NPZ for S2EF tasks, JSON for other evaluations) | |
| 2. **Fill in the model information** including name, organization, and contact details | |
| 3. **Select the evaluation type** that matches your prediction file | |
| 4. **Upload your file** and click Submit | |
| **Important Notes:** | |
| - Ensure your prediction file format matches the expected format for the selected evaluation | |
| - Your email will be stored privately and only used for communication regarding your submission | |
| - Results will appear on the leaderboard after successful validation | |
| - Remain on the page until you see the "Success" message. | |
| - S2EF evaluations can take 10-20 minutes, the other evaluations happen in a few minutes. Please be patient. | |
| This leaderboard is actively being developed and we are always open to feedback. If you run into any issues or have a question please | |
| reach out to us at our Github [page](https://github.com/facebookresearch/fairchem) or the [leaderboard discussion forum](https://huggingface.co/spaces/facebook/fairchem_leaderboard/discussions). | |
| """ | |
| # Citation information | |
| CITATION_BUTTON_LABEL = "Copy the following snippet to cite these results" | |
| CITATION_BUTTON_TEXT = r""" | |
| ```latex | |
| @article{levine2025open, | |
| title={The open molecules 2025 (omol25) dataset, evaluations, and models}, | |
| author={Levine, Daniel S and Shuaibi, Muhammed and Spotte-Smith, Evan Walter Clark and Taylor, Michael G and Hasyim, Muhammad R and Michel, Kyle and Batatia, Ilyes and Cs{'a}nyi, G{'a}bor and Dzamba, Misko and Eastman, Peter and others}, | |
| journal={arXiv preprint arXiv:2505.08762}, | |
| year={2025} | |
| } | |
| ``` | |
| """ | |
| # Table configuration | |
| PRE_COLUMN_NAMES = ["Model", "Organization", "Training Set"] | |
| POST_COLUMN_NAMES = ["Submission date"] | |
| TYPES = ["markdown", "markdown", "str", "number", "number", "str"] | |
| def model_hyperlink(link: str, model_name: str) -> str: | |
| """Create a hyperlink for model names in the leaderboard.""" | |
| if not link or link.strip() == "": | |
| return model_name | |
| return f'<a target="_blank" href="{link}" style="color: var(--link-text-color); text-decoration: underline;text-decoration-style: dotted;">{model_name}</a>' | |