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.
- BBB_calculatordrug-design · drug-discovery · medicinal-chemistry
Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b01220)
- MolCraftDiffusioncheminformatics · drug-design · drug-discovery · molecules
A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.
- ml-drug-discoverycheminformatics · drug-discovery · medicinal-chemistry
The official repository for the book "Machine Learning for Drug Discovery" (Manning Publications)
- renkincheminformatics · drug-discovery · medicinal-chemistry
Local and reproducible route auditing for AiZynthFinder, Syntheseus and RENKIN — plus a portable Rust retrosynthesis engine.
- hedgehogcheminformatics · drug-design · drug-discovery · rdkit
Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.
- ProLIFcheminformatics · drug-design · drug-discovery · rdkit
Interaction Fingerprints for protein-ligand complexes and more
- 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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