quacc
Workflow engine
A platform for running computational materials science and quantum chemistry workflows on various computing resources.
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
190 stars
5 watching
51 forks
Language: Python
last commit: 3 months ago
Linked from 1 awesome list
chemistrycomputational-materials-sciencedatabasedfthigh-throughputhpcpythonquantum-chemistryquantum-mechanicsworkflow
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