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rdkit-cli

imported

therapeutics/rdkit-cli

Python command line tool for rdkit library, fast, simple and reactive

Machine-generated from the listed sources and not yet reviewed by a human.

rdkit-cli project image
GitHub preview card for Vitruves/rdkit-cli. Served by its origin, not stored here, and not covered by this registry’s licence.
record
Category
Therapeutics
Subcategory
unknown
License
Apache-2.0(osi)
Status
active
Maturity
deployed
Organization
unknown
Country
unknown
Homepage
unknown
Documentation
unknown
Tags
cheminformatics · cli · command-line-tool · computational-chemistry · drug-discovery · fingerprints · molecular-descriptors · python · rdkit · sdf · smiles
Regulatory
unknown
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sources
  1. api.github.com/repos/Vitruves/rdkit-cli
    retrieved 2026-08-25 · via github-api

    Machine-imported from GitHub search. Last push 2026-04-03, 4 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 →

machine-readable

/v1/entries/10.json→ .entries["rdkit-cli"]

Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.