https://github.com/MolecularAI/REINVENT4

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
https://github.com/MolecularAI/REINVENT4

ai astrazeneca cheminformatics chemistry deep-learning denovo-design drug-design drug-discovery generative-ai ml molecule-generation neural-networks reinforcement-learning transfer-learning

Last synced: 3 months ago
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AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

• Host: GitHub
• URL: https://github.com/MolecularAI/REINVENT4
• Owner: MolecularAI
• License: apache-2.0
• Created: 2023-10-20T06:43:16.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-04-27T11:00:08.000Z (9 months ago)
• Last Synced: 2024-05-06T00:03:26.745Z (9 months ago)
• Topics: ai, astrazeneca, cheminformatics, chemistry, deep-learning, denovo-design, drug-design, drug-discovery, generative-ai, ml, molecule-generation, neural-networks, reinforcement-learning, transfer-learning
• Language: Python
• Homepage:
• Size: 1.24 GB
• Stars: 222
• Watchers: 23
• Forks: 53
• Open Issues: 4
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE
  • Support: support/convert_r3_model.py
  • Authors: AUTHORS.md

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