| --- |
| license: mit |
| datasets: |
| - Zatom-AI/qm9 |
| - Zatom-AI/mp_20 |
| - Zatom-AI/geom |
| - Zatom-AI/matbench |
| - Zatom-AI/qmof |
| - Zatom-AI/omol25 |
| - Zatom-AI/mptrj |
| language: |
| - en |
| pipeline_tag: graph-ml |
| tags: |
| - chemistry |
| - biology |
| - foundation-model |
| - generative-model |
| - predictive-model |
| - representation-learning |
| - transformer |
| - molecule |
| - material |
| - property |
| - energy |
| - forces |
| - mlip |
| --- |
| |
| <div align="center"> |
|
|
| # Zatom-1 |
|
|
| [](https://arxiv.org/abs/2602.22251) |
|
|
| <a href="https://arxiv.org/abs/2602.22251"><img src="zatom_1.png" width="600"></a> |
|
|
| </div> |
|
|
| This repository contains the model weights for Zatom-1, as introduced in [Zatom-1: A Multimodal Flow Foundation Model for 3D Molecules and Materials](https://huggingface.co/papers/2602.22251). |
|
|
| ## GitHub repository |
|
|
| https://github.com/Zatom-AI/zatom |
|
|
| ## Open-source resources |
|
|
| Zatom-1 builds upon the source code and data from the following projects: |
|
|
| - [all-atom-diffusion-transformer](https://github.com/facebookresearch/all-atom-diffusion-transformer) |
| - [flow_matching](https://github.com/facebookresearch/flow_matching) |
| - [flowmm](https://github.com/facebookresearch/flowmm) |
| - [jvp_flash_attention](https://github.com/amorehead/jvp_flash_attention) |
| - [lemat-genbench](https://github.com/LeMaterial/lemat-genbench) |
| - [lightning-hydra-template](https://github.com/ashleve/lightning-hydra-template) |
| - [PlatonicTransformers](https://github.com/niazoys/PlatonicTransformers) |
| - [ProteinWorkshop](https://github.com/a-r-j/ProteinWorkshop) |
| - [posebusters](https://github.com/maabuu/posebusters) |
| - [tabasco](https://github.com/carlosinator/tabasco) |
|
|
| We thank all their contributors and maintainers! |
|
|
| ## Acknowledgements |
|
|
| This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 using AI4Sci@NERSC award NERSC DDR-ERCAP0036206 awarded to AM. NBE would like to acknowledge support from the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, EXPRESS: 2025 Exploratory Research for Extreme-Scale Science program, and the Scientific Discovery through Advanced Computing (SciDAC) program, under Contract Number DE-AC02-05CH11231 at Berkeley Lab. |
|
|
| ## Citation |
|
|
| If you use the code or data associated with this package or otherwise find this work useful, please cite: |
|
|
| ```bibtex |
| @article{zatom_1_2026, |
| title={Zatom-1: A Multimodal Flow Foundation Model for 3D Molecules and Materials}, |
| author={Alex Morehead* and Miruna Cretu* and Antonia Panescu* and Rishabh Anand* and Maurice Weiler* and Tynan Perez* and Samuel Blau and Steven Farrell and Wahid Bhimji and Anubhav Jain and Hrushikesh Sahasrabuddhe and Pietro Liò and Tommi Jaakkola and Rafael Gómez-Bombarelli and Rex Ying* and Ben Erichson* and Michael Mahoney*}, |
| year={2026}, |
| eprint={2602.22251}, |
| archivePrefix={arXiv}, |
| primaryClass={cs.LG}, |
| url={https://arxiv.org/abs/2602.22251}, |
| note={* denotes equal contribution} |
| } |
| ``` |
