rdkit-pypi has 114K monthly downloads and 4K GitHub stars. Version 2022.9.5, first published in 2021.
It is actively maintained under a permissive license, last released in Feb 2023.
It is built on top of numpy and pillow. It is used by 41 tracked packages, including dglgo, torchdrug and moleculeace.
GitHub topics include cheminformatics, c-plus-plus and rdkit.
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Used By
- dglgo
- torchdrug
- moleculeace
- cpa-tools
- bgcfinder
- carate
- classification-mega-chem-mesh
- drugautoml
- bit-collision-free-mf
- rascore
- graphchem
- model2graph
- auglichem
- ggfm
- chemxor
- rxnrecer
- agextend
- molml-tools
- astrochem-ml
- polyga
- biocatalyzer
- biomed-multi-view
- compassdock
- qdx
- pharmalyzer
- gaussbio3d
- pura
- ternviz
- cixtools
- repurposcan
- pbcnet
- aiarc
- molgx
- molsetrep
- signaturizer3d
- lohi-splitter
- xgdl
- mol-adme
- attentionodorify
- reactea
- csfdock