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: 3 months 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 7 years ago)
- Default Branch: master
- Last Pushed: 2021-03-29T01:12:57.000Z (over 4 years ago)
- Last Synced: 2025-07-15T02:35:45.509Z (3 months ago)
- Topics: cheminformatics, chemoinformatics, denovo, machine-learning, python3, pytorch, vae
- Language: Python
- Homepage:
- Size: 2.09 GB
- Stars: 46
- Watchers: 2
- Forks: 19
- Open Issues: 0