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 (about 3 years ago)
• Default Branch: master
• Last Pushed: 2023-03-16T07:07:10.000Z (over 1 year ago)
• Last Synced: 2024-06-14T01:41:06.753Z (3 months ago)
• Topics: astrazeneca, chemoinformatics, denovo-design, jupyter-notebook, molecular-docking, reinforcement-learning
• Language: Python
• Homepage:
• Size: 15.3 MB
• Stars: 100
• Watchers: 6
• Forks: 30
• Open Issues: 3

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• top-life-sciences - **MolecularAI/DockStream** - design`, `jupyter-notebook`, `molecular-docking`, `reinforcement-learning`<br><img src='https://github.com/HubTou/topgh/blob/main/icons/gstars.png'> 100 <img src='https://github.com/HubTou/topgh/blob/main/icons/forks.png'> 30 <img src='https://github.com/HubTou/topgh/blob/main/icons/code.png'> Python <img src='https://github.com/HubTou/topgh/blob/main/icons/license.png'> Apache License 2.0 <img src='https://github.com/HubTou/topgh/blob/main/icons/last.png'> 2023-03-16 07:07:10 | (Ranked by starred repositories)