https://github.com/topazape/molecular-vae

Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
https://github.com/topazape/molecular-vae

cheminformatics chemoinformatics denovo machine-learning python3 pytorch vae

Last synced: about 6 hours ago
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Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules

• Host: GitHub
• URL: https://github.com/topazape/molecular-vae
• Owner: topazape
• License: unlicense
• Created: 2018-06-27T09:42:22.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2021-03-29T01:12:57.000Z (over 3 years ago)
• Last Synced: 2023-03-05T14:26:38.037Z (over 1 year ago)
• Topics: cheminformatics, chemoinformatics, denovo, machine-learning, python3, pytorch, vae
• Language: Python
• Homepage:
• Size: 2.09 GB
• Stars: 36
• Watchers: 3
• Forks: 17
• Open Issues: 0

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