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#machine-learning-potential

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

2 records
Tagged “machine-learning-potential”Ranked by health index
PyPI
65Goodhealth index
t-0hmura/pdb2reaction
End-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials
Python★ 26↓ 378/moSep 5, 2026
GPL-3.0Sep 5, 2026 · metrics 2.10.0
PyPI
62Moderatehealth index
dralgroup/mlatom
AI-enhanced computational chemistry
Python · Fortran★ 162Sep 13, 2026
Apache-2.0Sep 13, 2026 · metrics 2.10.0