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doyle-lab-ucla/auto-qchem

Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.

Owner
doyle-lab-ucla (organization)
Stars
Stars: 133
Forks
Forks: 23
Language
Python
License
GPL-3.0
Created
2019
Topics
cheminformaticsdft-calculationsautomationfeaturemachine-learning
Tier
Prototype (100 to 249 ★) What this tier means
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