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WMD-group
smact

Python package to aid materials design and informatics

46K 133 31
lukasturcani
stk

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

7K 284 53
sparks-baird
crabnet

Predict materials properties using only the composition information!

2K 17 7
sparks-baird
mat-discover

A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

1K 46 9
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