https://github.com/MolecularAI/deep-molecular-optimization

Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
https://github.com/MolecularAI/deep-molecular-optimization

molecular-optimization multi-property-optimization seq2seq transformer

Last synced: 5 months ago
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Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer

• Host: GitHub
• URL: https://github.com/MolecularAI/deep-molecular-optimization
• Owner: MolecularAI
• License: apache-2.0
• Archived: true
• Created: 2020-10-28T09:22:05.000Z (over 4 years ago)
• Default Branch: main
• Last Pushed: 2023-03-16T07:05:06.000Z (about 2 years ago)
• Last Synced: 2024-08-03T09:03:40.611Z (9 months ago)
• Topics: molecular-optimization, multi-property-optimization, seq2seq, transformer
• Language: Python
• Homepage:
• Size: 74.7 MB
• Stars: 141
• Watchers: 7
• Forks: 37
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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