UBio-MolFM achieves ab initio-level fidelity on large out-of-distribution biomolecular systems using a new multi-fidelity dataset, E2Former-V2 architecture, and three-stage curriculum learning.
PubChemQC project: a large-scale first-principles electronic structure database for data-driven chemistry.Journal of Chemical Information and Modeling, 57(6):1300–1308
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UBio-MolFM: A Universal Molecular Foundation Model for Bio-Systems
UBio-MolFM achieves ab initio-level fidelity on large out-of-distribution biomolecular systems using a new multi-fidelity dataset, E2Former-V2 architecture, and three-stage curriculum learning.