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coleygroup/molpal

active learning for accelerated high-throughput virtual screening

Owner
coleygroup (organization)
Stars
Stars: 215
Forks
Forks: 45
Language
Jupyter Notebook
License
MIT
Created
2020
Topics
active-learningvirtual-screeningchemistry
Tier
Prototype (100 to 249 ★) What this tier means
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