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Rdkit ⭐ 2,323
The official sources for the RDKit library
dependent packages 21total releases 43most recent commit 3 months ago
Tdc ⭐ 889
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science
dependent packages 4total releases 32most recent commit 4 months agopypi PyTDC} Downloads
Dgl Lifesci ⭐ 558
Python package for graph neural networks in chemistry and biology
dependent packages 4total releases 17most recent commit a year agopypi dgllife} Downloads
Aizynthfinder ⭐ 504
A tool for retrosynthetic planning
total releases 3most recent commit 3 months ago


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