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SCM - Software for Chemistry and Materials's repositories

The Fortran Template Library

Language:FortranGPL-3.0112 16 12

Python Library for Automating Molecular Simulations

Language:PythonNOASSERTION63 13 39

This library tackles the construction and efficient execution of computational chemistry workflows

Language:PythonNOASSERTION44 9 107

Package containing several workflows to compute molecular properties for nanomaterials

Language:PythonApache-2.09 8 135

Python Library for Automating Zacros Simulations

Language:PythonNOASSERTION4 7 49

PReconditioned Iterative MultiMethod Eigensolver

Language:CLGPL-2.11 40

Computational chemistry workflow examples using the QMFlows package

Language:PythonApache-2.01 40

Port of SPGL1 to python

Language:PythonLGPL-2.11 40

a library that implements the worker side of the AMS pipe protocol

Language:C++MIT060

Library version of S. Grimmes DFTD3 code.

Language:FortranNOASSERTION060