chemicalx

Repository facts

Stars

786

Forks

101

Open issues and pull requests

9

Primary language

Python

License

Apache License 2.0 (Apache-2.0)

Owner

AstraZeneca · Organization

Created

Dec 6, 2021

Last push

Sep 11, 2023

Topics

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

Rank #7,168 of 9,507 in AI on GitHub, by stars. Data from the GitHub API, fetched Oct 18, 2026; star counts change daily. Stars measure popularity, not quality or safety, and a listing is not an endorsement. How this list is made

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