# HTML title for the application
TITLE = """FAIR Chemistry Leaderboard
"""
# Main introduction text
INTRODUCTION_TEXT = """
# Welcome to the FAIR Chemistry Leaderboard! π§ͺ
This space hosts comprehensive leaderboards across different chemical domains including molecules, catalysts, and materials.
*Note: Leaderboards previously hosted on EvalAI (such as [OC20](https://eval.ai/web/challenges/challenge-page/712/overview)) will be migrated here in the near future.*
## 𧬠OMol25
This leaderboard evaluates performance on the **Open Molecules 2025 (OMol25)** datasetβa diverse, high-quality collection that uniquely combines elemental, chemical, and structural diversity.
π **Learn more:** [OMol25 Paper](https://arxiv.org/pdf/2505.08762)
### Benchmarks
**S2EF (Structure to Energy and Forces)**
- Test and validation sets across different molecular categories
**Evaluations.** Downstream chemistry tasks that evaluate practical applications:
- **Ligand Pocket:** Protein-ligand interaction energy as a proxy for binding energy
- **Ligand Strain:** Ligand-strain energy crucial for understanding protein-ligand binding
- **Conformers:** Identifying the lowest energy conformer
- **Protonation:** Energy differences between protonated structures (proxy for pKa prediction)
- **Distance Scaling:** Short and long range intermolecular interactions
- **IE/EA:** Ionization energy and electron affinity
- **Spin Gap:** Energy differences between varying spin states
## π Getting Started
Ready to submit your model? Check out our steps for running benchmarks and generating prediction files:
π **[Submission Documentation](https://fair-chem.github.io/molecules/leaderboard.html)**
"""
# Submission instructions
SUBMISSION_TEXT = """
## How to Submit
### To submit your model predictions:
- **π Step 1:** Generate prediction files for the appropriate task (see [here](https://fair-chem.github.io/molecules/leaderboard.html) for details)
- **π Step 2:** Sign in with Hugging Face
- **π Step 3:** Fill in the submission metadata (name, organization, contact info, etc.)
- **π― Step 4:** Select the evaluation type that matches your prediction file
- **π€ Step 5:** Upload your file and click Submit Eval
- **β±οΈ Step 6:** Wait for the evaluation to complete and see the "β
" message in the Status bar
**π Submission Limits:** Users are limited to **5 successful submissions per month** for each evaluation type.
### β οΈ Important Notes:
- β
**File Format:** Ensure your prediction file format matches the expected format for the selected evaluation (.npz for S2EF and .json for Evaluations)
- π **Privacy:** Your email will be stored privately and only used for communication regarding your submission
- π **Results:** Results will appear on the leaderboard after successful validation
- β±οΈ **Wait Time:** Remain on the page until you see the "Success" message. Evaluations can take several minutes, please be patient
- ποΈ **Removal:** If you wish to have your model removed from the leaderboard, please reach out to mshuaibi@meta.com with the model name and submission date
### π¬ Need Help?
This leaderboard is actively being developed and we welcome any feedback and contributions!
**π Contact us:**
- π [GitHub Issues](https://github.com/facebookresearch/fairchem)
- π¬ [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", "Energy Conserving", "Training Set"]
POST_COLUMN_NAMES = ["Submission date"]
TYPES = ["markdown", "str", "bool", "str"]
def model_hyperlink(model_link: str, paper_link: str, model_name: str) -> str:
"""Create a hyperlink for model names in the leaderboard."""
# Check if we have valid links
has_model_link = model_link and model_link.strip() != ""
has_paper_link = paper_link and paper_link.strip() != ""
if not has_model_link and not has_paper_link:
return model_name
if has_model_link and not has_paper_link:
return f'{model_name}'
if not has_model_link and has_paper_link:
return f'{model_name} π'
return f'{model_name} π'