/tools/SMACT
SMACT
WMD-group/SMACT
summary
SMACT is a Python package designed for materials design and informatics, focusing on rapid screening of hypothetical materials and predicting their properties. It utilizes data about chemical elements to facilitate the generation and optimization of compositions, making it a valuable resource in computational chemistry.
description
Python package to aid materials design and informatics
topics
materials-sciencematerials-informaticsmaterials-screeningmaterials-designmachine-learningpythoncomputational-chemistry
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