rdkit

imported

therapeutics/rdkit

The official sources for the RDKit library

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

rdkit project image — GitHub preview card for rdkit/rdkit. Served by its origin, not stored here, and not covered by this registry’s licence.

record

Category: Therapeutics
Subcategory: unknown
License: BSD-3-Clause(osi)
Status: active
Maturity: deployed
Organization: rdkit
Country: unknown
Homepage: unknown
Repository: github.com/rdkit/rdkit
Documentation: unknown
Tags: c-plus-plus · cheminformatics · python · rdkit
Regulatory: unknown

built by · 6

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.

similar by tags

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

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DDL SQL code to create a set of user-defined functions in Snowflake to enable chemical structure queries (exact structure, substructure, superstructure, similarity), chemistry data file import and…
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A streamlined Python cheminformatics toolkit for SMILES cleaning, descriptor calculation (ECFP, MACCS), and structural scaffolding for machine learning pipelines.
bokehmolcheminformatics · rdkit
Bokeh extensions to plot molecules easily

sources

api.github.com/repos/rdkit/rdkit
retrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-08-04, 3539 stars, license reported as BSD-3-Clause. Category and schematic were assigned by keyword heuristics and are unreviewed.

Not yet verified by a human. Correct this record →

machine-readable

/v1/entries/53.json→ .entries["rdkit"]

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