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Topics: rdkit

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3 repositories by Attention Score · May 7, 2026 – Nov 2, 2026 (UTC)

Language: Python
Topic: rdkit
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1.datamol-io / datamol

Molecular Processing Made Easy.

python
molecule
rdkit
drug-discovery
drug-design
molecules
+2 more

Python APACHE-2.0557 total66 forks

+26 stars

from 531 · score 3.30

2.LigandPro / Matcha

Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.

alphafold3
docking
drug-design
drug-discovery
flowmatching
gnina
+8 more

Python Other license37 total4 forks

+14 stars

from 23 · score 2.71

3.mcs07 / MolVS

Molecule Validation and Standardization

rdkit
python
chemistry
cheminformatics
standardization
validation

Python MIT189 total59 forks

+8 stars

from 181 · score 2.20

Order: Attention Score

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Ranked by stars gained in the window. The score is the natural log of one plus that gain, so a repository's rank is exactly its star gain's rank.

score = log1p(net stars gained in the trailing T complete UTC days)

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The longest window is 180 days. Star History from the Repository Host goes back at most 180 days before a repository's first Observation. A longer window needs more days of Observations first. A repository younger than the window is not ranked in it.

The filters narrow the same eligible repositories. A repository matches the topics when it has any of them. Total stars is the count now. Last push and creation on the Repository Host count back from the start of today (UTC). The counts beside the languages, licenses, and topics include all ranked repositories in the window. A Tag holds the repositories that have it; see Tags.

Repositories enter the index from the Seed Dataset or by gaining stars faster than the published admission threshold, whatever their size. Admission is permanent, so an archived repository can still rank.

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