datamol
importedtherapeutics/datamol
Molecular Processing Made Easy.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- datamol-io
- Country
- unknown
- Homepage
- docs.datamol.io
- Repository
- github.com/datamol-io/datamol
- Documentation
- unknown
- Tags
- cheminformatics · drug-design · drug-discovery · medicinal-chemistry · molecule · molecules · python · rdkit
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- ml-drug-discoverycheminformatics · drug-discovery · medicinal-chemistry
The official repository for the book "Machine Learning for Drug Discovery" (Manning Publications)
- ProLIFcheminformatics · drug-design · drug-discovery · rdkit
Interaction Fingerprints for protein-ligand complexes and more
- Scopycheminformatics · drug-design · drug-discovery · rdkit
An integrated negative design python library for desirable HTS/VS database design
- biopandasdrug-discovery · molecule · molecules
Working with molecular structures in pandas DataFrames
- chemistry_drawercheminformatics · molecule · rdkit
Draw molecules with plotly!
- moldrugcheminformatics · drug-design · rdkit
moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
- api.github.com/repos/datamol-io/datamolretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-05-20, 543 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/59.json→ .entries["datamol"]
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