---
title: OMol25
canonical_url: "https://www.modelscope.cn/models/facebook/OMol25"
md_url: "https://www.modelscope.cn/models/facebook/OMol25.md"
repository: facebook/OMol25
last_updated: 2026-10-26
license: other
pipeline_tag: text-generation
tasks:
  - text-generation
library_name:
  - pytorch
frameworks:
  - pytorch
downloads: 425
stars: 2
---

# OMol25

> OMol25 - facebook 在 ModelScope 开源的模型。The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models

facebook/OMol25 是 ModelScope 魔搭社区上的text-generation模型，采用 other 许可。

- **Repository**: facebook/OMol25
- **License**: other
- **Tasks**: text-generation
- **Downloads**: 425
- **Stars**: 2
- **Last updated**: 2026-10-26

Source: https://www.modelscope.cn/models/facebook/OMol25

---

<h1 align="center" style="font-size: 36px;">The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models</h1>

<p align="center">
  <img width="800" src="https://cdn-uploads.huggingface.co/production/uploads/67004f02d66ad0efb0d494c3/A7yfpV4XLmU54NI0mHCpp.png"?
</p>

## Dataset
#### LICENSE: The OMol25 dataset is provided under a CC-BY-4.0 license
Download links and instructions on how to access the data can be found [here](https://huggingface.co/facebook/OMol25/blob/main/DATASET.md). This includes the OMol25 data and the OMol Closed Shell Hamiltonian (OMol_CSH) Dataset. The OMol25 electronic structure data is hosted at [Argonne National Laboratory via Globus](https://www.materialsdatafacility.org/spotlight/omol25).


## Model checkpoints
#### LICENSE: OMol25 model checkpoints are provided under the [FAIR Chemistry License](https://huggingface.co/facebook/OMol25/blob/main/LICENSE)

Baseline model checkpoints trained on the full OMol25 dataset are provided below.

<table>
  <tr>
   <td><strong>Name</strong>
   </td>
   <td><strong>Split</strong>
   </td>
   <td><strong>Checkpoint</strong>
   </td>
  </tr>

  <tr>
   <td>eSEN-sm-direct</td>
   <td>All</td>
   <td><a href="https://huggingface.co/facebook/OMol25/blob/main/checkpoints/esen_sm_direct_all.pt">esen_sm_direct_all.pt</a></td>
  </tr>

  <tr>
   <td>eSEN-sm-conserving</td>
   <td>All</td>
   <td><a href="https://huggingface.co/facebook/OMol25/blob/main/checkpoints/esen_sm_conserving_all.pt">esen_sm_conserving_all.pt</a></td>
  </tr>

  <tr>
   <td>eSEN-md-direct</td>
   <td>All</td>
   <td><a href="https://huggingface.co/facebook/OMol25/blob/main/checkpoints/esen_md_direct_all.pt">esen_md_direct_all.pt</a></td>
  </tr>

  <tr>
   <td>eSEN-lg-direct</td>
   <td>All</td>
   <td>coming soon...</td>
  </tr>

  <tr>
   <td>AllScAIP-md-direct</td>
   <td>All</td>
   <td><a href="https://huggingface.co/facebook/OMol25/blob/main/checkpoints/AllScAIP/AllScAIP-OMol102M-md-d.pt">AllScAIP-md-direct.pt</a></td>
  </tr>

  <tr>
   <td>AllScAIP-md-conserving</td>
   <td>All</td>
   <td><a href="https://huggingface.co/facebook/OMol25/blob/main/checkpoints/AllScAIP/AllScAIP-OMol102M-md-cons.pt">AllScAIP-md-conserving.pt</a></td>
  </tr>
</table>

## Open Polymers 2026 (OPoly26) Dataset
#### LICENSE: The OPoly26 dataset is provided under a CC-BY-4.0 license
The OPoly26 dataset is an extension of OMol25 focusing specifically on polymers. The DFT settings are identical between OMol25 and OPoly26, so the two can be mixed without worrying about inconsistencies between settings. 

Download links and instructions on how to access the data can be found [here](https://huggingface.co/facebook/OMol25/blob/main/DATASET.md).

## How to use
Model checkpoints can be readily used in the [`fairchem`](https://github.com/facebookresearch/fairchem) repo using our custom ASE-calculator.
You can find details about using the model, along with other utilities including tutorials and documentation in the official [fairchem repo](https://github.com/facebookresearch/fairchem).

## Leaderboard
The OMol25 leaderboard can be found [here](https://huggingface.co/spaces/facebook/fairchem_leaderboard) to help evaluate and track community progress. 

## Support
If you run into any issues feel free to post your questions or comments on [Github Issues](https://github.com/facebookresearch/fairchem/issues).

## Citation
If you use this work, please cite:
```
@misc{levine2025openmolecules2025omol25,
      title={The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models}, 
      author={Daniel S. Levine and Muhammed Shuaibi and Evan Walter Clark Spotte-Smith and Michael G. Taylor and Muhammad R. Hasyim and Kyle Michel and Ilyes Batatia and Gábor Csányi and Misko Dzamba and Peter Eastman and Nathan C. Frey and Xiang Fu and Vahe Gharakhanyan and Aditi S. Krishnapriyan and Joshua A. Rackers and Sanjeev Raja and Ammar Rizvi and Andrew S. Rosen and Zachary Ulissi and Santiago Vargas and C. Lawrence Zitnick and Samuel M. Blau and Brandon M. Wood},
      year={2025},
      eprint={2505.08762},
      archivePrefix={arXiv},
      primaryClass={physics.chem-ph},
      url={https://arxiv.org/abs/2505.08762}, 
}
```

If you use OPoly26, please cite:
```
@misc{levine2025openpolymers2026opoly26,
      title={The Open Polymers 2026 (OPoly26) Dataset and Evaluations}, 
      author={Daniel S. Levine and Nicholas Liesen and Lauren Chua and James Diffenderfer and Helgi Ingolfsson and Matthew P. Kroonblawd and Nitesh Kumar and Amitesh Maiti and Supun S. Mohottalalage and Muhammed Shuaibi and Brian Van Essen and Brandon M. Wood and C. Lawrence Zitnick and Samuel M. Blau and Evan R. Antoniuk},
      year={2025},
      eprint={2512.23117},
      archivePrefix={arXiv},
      primaryClass={physics.chem-ph},
      url={https://arxiv.org/abs/2512.23117}, 
}
```