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Details
- Meta FAIR has released Open Molecules 2025 (OMol25) and the Universal Model for Atoms (UMA), representing a major advancement in computational molecular sciences.
- This release is the result of a collaboration with national laboratories and leading universities, including Lawrence Livermore National Laboratory and other Department of Energy partners.
- OMol25 is the largest quantum chemistry dataset to date, featuring more than 100 million DFT calculations across 83 elements and systems reaching up to 350 atoms, while UMA is trained on 30 billion atoms for high accuracy at unprecedented speeds.
- This initiative builds on Meta's previous open science projects, expanding from materials science to encompass large-scale datasets focused on biomedicine and energy research.
- UMA's innovative mixture-of-experts architecture enables rapid, accurate predictions, offering a performance that is 10,000 times faster than standard quantum methods for large atomic systems.
Impact
Meta’s new tools democratize high-fidelity molecular simulation, a capability crucial to breakthroughs in drug discovery and battery innovation. This release underscores a broader industry shift toward AI-powered scientific infrastructure, with Meta strengthening ties to national research institutions. By drastically reducing computational barriers, these resources are poised to accelerate innovations across chemistry and materials science.
