AIlibrary

awesome-python-chemistry

A curated list of Python packages related to chemistry

1,383 stars227 forks7 issuesNOASSERTION更新于 2026/4/23

GitHub 仓库

atomistic-simulationschemistrycomputational-chemistrymolecular-dynamicspython-chemistryquantum-chemistrysimulation

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