OmniMol: Transferring Particle Physics Knowledge to Molecular Dynamics with Point-Edge Transformers

Ibrahim Elsharkawy, Vinicius Mikuni, Wahid Bhimji +1

We present OmniMol, a state-of-the-art all-to-all transformer-based small molecule machine-learned interatomic potential (MLIP). OmniMol is built by adapting Omnilearned, a foundat…