Single GPU Can Run 180,000 Atoms! The 'Scale Anxiety' in Molecular Simulation Should End
The UBio team at the Institute of Innovation Research released UBio-MolFM v1.5, a machine learning interatomic potential for biomolecular dynamics simulations with quantum chemical accuracy. It offers near-classical force field speed and quantum-level precision without retuning per system, demonstrated through two case studies on ion channels and drug molecules.
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