rdkit has 9.7M monthly downloads and 4K GitHub stars. Version 2026.3.3, first published in 2022.
It is actively maintained under a permissive license, last released in Jun 2026.
It is built on top of numpy and pillow. It is used by 834 tracked packages, including mordredcommunity, pdbeccdutils and descriptastorus.
GitHub topics include cheminformatics, c-plus-plus and rdkit.
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Used By
- mordredcommunity
- pdbeccdutils
- descriptastorus
- chemprop
- aimsim-core
- dimorphite-dl
- pytdc
- chembl-structure-pipeline
- datamol
- lmdeploy
- deepchem
- matchms
- boltz
- moleculekit
- posebusters
- hbat
- scikit-fingerprints
- e3fp
- workbench
- moleditpy
- ord-schema
- molify
- alphafold3-pytorch
- molbloom
- biopygeon
- atomworks
- useful-rdkit-utils
- moleditpy-linux
- exmol
- synspace
- protenix
- mols2grid
- mmpdb
- admet-ai
- medchem
- alphabase
- myopic-mces
- stk
- csp5
- fpsim2
- atomlite
- molfeat
- drfp
- boltzgen
- aizynthfinder
- pysec2pri
- fcd
- cuik-molmaker-pin
- reaction-utils
- perovskite-solar-cell-database