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QChASM
aarontools

Python tools for automating routine tasks encountered when running quantum chemistry computations.

3K 58 9
molssi-seamm
psi4-step

A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.

1K 5 1
RadonPy
radonpy-pypi

RadonPy is a Python library to automate physical property calculations for polymer informatics.

919 258 47
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