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#machine-learning-interatomic-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-interatomic-potential”Ranked by health index
PyPI
63Moderatehealth index
t-0hmura/mlmm_toolkit
Machine‑Learning / Molecular‑Mechanics (ML/MM) hybrid calculator and CLI toolset for Mechanistic Investigation of Enzymatic Reactions.
Python★ 17↓ 387/moJul 17, 2026
GPL-3.0Jul 17, 2026 · metrics 1.13.0
PyPI
62Moderatehealth index
t-0hmura/pdb2reaction
End-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials
Python★ 15↓ 2,374/moJul 14, 2026
GPL-3.0Jul 14, 2026 · metrics 1.13.0