A curated list of Python packages related to chemistry
updated at June 23, 2024, 8:25 a.m.
56 +0
1,050 +2
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Message Passing Neural Networks for Molecule Property Prediction
updated at June 23, 2024, 12:58 p.m.
37 +0
1,604 +7
549 +1
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
updated at June 23, 2024, 1:30 p.m.
26 +0
369 +1
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An open library for the analysis of molecular dynamics trajectories
updated at June 23, 2024, 4:41 p.m.
48 +0
563 +2
271 +0
Universal cheminformatics toolkit, utilities and database search tools
updated at June 23, 2024, 7:24 p.m.
47 +0
288 +1
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