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ZENO
ZENO PublicForked from usnistgov/ZENO
A software tool based on Monte Carlo methods, ZENO computes material properties at nanoscale.
C++
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chemml
chemml PublicForked from hachmannlab/chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
Python
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geometry_analysis
geometry_analysis PublicA sample package for the MolSSI Software Summer School
Python
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