https://github.com/novartis/div_rank
This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the same time optimizing a property score. This algorithm has been used in the re-design of the Novartis screening deck as described in https://dx.doi.org/10.1021/acs.jmedchem.0c01332
https://github.com/novartis/div_rank
Last synced: 11 months ago
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This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the same time optimizing a property score. This algorithm has been used in the re-design of the Novartis screening deck as described in https://dx.doi.org/10.1021/acs.jmedchem.0c01332
- Host: GitHub
- URL: https://github.com/novartis/div_rank
- Owner: Novartis
- Created: 2020-10-28T10:27:49.000Z (over 5 years ago)
- Default Branch: master
- Last Pushed: 2020-10-30T08:05:23.000Z (over 5 years ago)
- Last Synced: 2024-04-16T11:10:09.204Z (about 2 years ago)
- Language: Python
- Homepage:
- Size: 40.3 MB
- Stars: 10
- Watchers: 3
- Forks: 0
- Open Issues: 1