Open Materials 2024
Open Materials 2024 (OMat24)
Open data that topped Matbench Discovery for predicting stable crystals
Latest: OMat24 (October 2024); successor capabilities folded into UMA
An open inorganic-materials dataset of over 100 million DFT calculations plus pretrained EquiformerV2-based interatomic potentials, released October 2024. The models set state-of-the-art results on the Matbench Discovery leaderboard for predicting stable materials, and the permissively licensed dataset became a foundation for the materials-discovery ML community.
Why it matters
Over 100 million inorganic DFT calculations plus pretrained potentials that took the top of the Matbench Discovery leaderboard for predicting stable materials. Released under a permissive license, it became a foundation dataset for materials-discovery ML, and its capabilities were folded into UMA.
Facts
- On release, OMat24-trained models topped Matbench Discovery — open data beating closed efforts at predicting which hypothetical crystals can actually exist.
Try it yourself
Dataset and models on Hugging Face ↗ Read the paper ↗ FAIR Chemistry docs ↗
Lineage
Sources
arXiv ↗Hugging Face ↗rowansci.com ↗