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AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Repository stars
788All-time #20,716
Fork
101
Last push
updated 3 years ago
Repository created
since 2021
Frameworks & SDKsData science & machine learningPythonApache-2.0 · Permissive
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Summarised by AI from the README; the original prevails

Author description: A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Basic listing based on official public information; functionality has not been independently evaluated.

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Data analysis# deep-learning# pytorch# deep-chemistry# graph-neural-network# drug# drug-pair# polypharmacy# drug-discovery# pharma# drug-interaction# chemistry# biology# machine-learning# torch# geometric-deep-learning# geometry# smiles# smiles-strings# torchdrug

Star trend

Includes values estimated from GitHub history
78778878810-0710-1210-1710-2210-2711-0111-05

First collected 2026-11-03Measured at 2026-11-03 08:25 UTCSourceLicense source

Compiled from public project information; not independently tested. · Repository stars, not unique users or individual-skill installs · License tiers are derived from metadata. Check obligations for your use; unknown does not mean prohibited.