https://github.com/AstraZeneca/chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
https://github.com/AstraZeneca/chemicalx

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

Last synced: about 2 months ago
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A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

• Host: GitHub
• URL: https://github.com/AstraZeneca/chemicalx
• Owner: AstraZeneca
• License: apache-2.0
• Created: 2021-12-06T15:32:55.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2023-09-11T08:01:43.000Z (about 1 year ago)
• Last Synced: 2024-05-02T02:18:30.940Z (5 months ago)
• 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
• Language: Python
• Homepage: https://chemicalx.readthedocs.io
• Size: 20.4 MB
• Stars: 700
• Watchers: 22
• Forks: 88
• Open Issues: 7
• Metadata Files:
  • Readme: README.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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