https://github.com/MolecularAI/DockStream

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
https://github.com/MolecularAI/DockStream

astrazeneca chemoinformatics denovo-design jupyter-notebook molecular-docking reinforcement-learning

Last synced: about 2 months ago
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DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

• Host: GitHub
• URL: https://github.com/MolecularAI/DockStream
• Owner: MolecularAI
• License: apache-2.0
• Archived: true
• Created: 2021-08-02T12:39:39.000Z (over 3 years ago)
• Default Branch: master
• Last Pushed: 2023-03-16T07:07:10.000Z (almost 2 years ago)
• Last Synced: 2024-08-03T09:04:07.868Z (5 months ago)
• Topics: astrazeneca, chemoinformatics, denovo-design, jupyter-notebook, molecular-docking, reinforcement-learning
• Language: Python
• Homepage:
• Size: 15.3 MB
• Stars: 101
• Watchers: 6
• Forks: 31
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • Changelog: ChangeLog.md
  • License: LICENSE

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