https://github.com/volkamerlab/maxsmi

maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
https://github.com/volkamerlab/maxsmi

cheminformatics data-augmentation deep-learning

Last synced: 4 months ago
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maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.

• Host: GitHub
• URL: https://github.com/volkamerlab/maxsmi
• Owner: volkamerlab
• License: mit
• Created: 2020-10-16T08:09:16.000Z (over 5 years ago)
• Default Branch: main
• Last Pushed: 2024-02-22T11:02:13.000Z (over 2 years ago)
• Last Synced: 2025-10-21T19:27:16.374Z (8 months ago)
• Topics: cheminformatics, data-augmentation, deep-learning
• Language: Jupyter Notebook
• Homepage: https://maxsmi.readthedocs.io/en/latest/
• Size: 219 MB
• Stars: 34
• Watchers: 2
• Forks: 4
• Open Issues: 11
• Metadata Files:
  • Readme: README.md
  • Contributing: .github/CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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