psi4
Quantum Chemistry Engine
Software package for simulating molecular properties through ab initio quantum chemistry methods
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
993 stars
64 watching
454 forks
Language: C++
last commit: over 1 year ago
Linked from 2 awesome lists
c-plus-pluschemistrycomputational-chemistryphysicspythonquantum-chemistry
fffaraz/awesome-cpp
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