PrototypeCommon
aamini/chemprop
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
- Owner
- aamini (personal account)
- Stars
- Stars: 136
- Forks
- Forks: 17
- Language
- Python
- License
- MIT
- Created
- 2021
- Topics
- drug-discoveryuncertaintymoleculeevidential-deep-learningchemistryactive-learningbayesian-optimizationvirtual-screeningneural-network
- Tier
- Prototype (100 to 249 ★) What this tier means
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