https://github.com/aspuru-guzik-group/dionysus
For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital Discovery: https://pubs.rsc.org/en/content/articlehtml/2023/dd/d2dd00146b
https://github.com/aspuru-guzik-group/dionysus
biology calibration cheminformatics chemistry probabilistic-models
Last synced: 3 months ago
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For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital Discovery: https://pubs.rsc.org/en/content/articlehtml/2023/dd/d2dd00146b
- Host: GitHub
- URL: https://github.com/aspuru-guzik-group/dionysus
- Owner: aspuru-guzik-group
- License: mit
- Created: 2022-08-19T02:09:56.000Z (about 3 years ago)
- Default Branch: main
- Last Pushed: 2023-05-11T01:36:09.000Z (over 2 years ago)
- Last Synced: 2025-04-11T04:03:51.818Z (6 months ago)
- Topics: biology, calibration, cheminformatics, chemistry, probabilistic-models
- Language: Python
- Homepage:
- Size: 189 MB
- Stars: 21
- Watchers: 8
- Forks: 2
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE