fairchem_leaderboard / content.py
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initial leaderboard build
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# 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>'