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: 5 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 2 years ago)
- Default Branch: main
- Last Pushed: 2026-01-12T10:01:59.000Z (5 months ago)
- Last Synced: 2026-01-12T18:50:57.470Z (5 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: 1.43 GB
- Stars: 657
- Watchers: 21
- Forks: 190
- Open Issues: 1
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Metadata Files:
- Readme: README.md
- Changelog: CHANGELOG.md
- Contributing: CONTRIBUTING.md
- License: LICENSE
- Support: support/CAZP/README.md
- Authors: AUTHORS.md