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: 24 days 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 3 years ago)
• Default Branch: main
• Last Pushed: 2023-03-16T07:05:06.000Z (over 1 year ago)
• Last Synced: 2024-05-06T00:03:26.260Z (2 months ago)
• Topics: molecular-optimization, multi-property-optimization, seq2seq, transformer
• Language: Python
• Homepage:
• Size: 74.7 MB
• Stars: 139
• Watchers: 7
• Forks: 36
• Open Issues: 3

Lists

• top-life-sciences - **MolecularAI/deep-molecular-optimization** - optimization`, `multi-property-optimization`, `seq2seq`, `transformer`<br><img src='https://github.com/HubTou/topgh/blob/main/icons/gstars.png'> 139 <img src='https://github.com/HubTou/topgh/blob/main/icons/forks.png'> 36 <img src='https://github.com/HubTou/topgh/blob/main/icons/code.png'> Python <img src='https://github.com/HubTou/topgh/blob/main/icons/license.png'> Apache License 2.0 <img src='https://github.com/HubTou/topgh/blob/main/icons/last.png'> 2023-03-16 07:05:06 | (Ranked by starred repositories)