Stars
EPFL CH-457 "AI for chemistry"
Component-based Learned Intermolecular Force Field
A repository for quantum chemistry basis sets
Quantum chemistry program executor and IO standardizer (QCSchema).
A client interface to the QCArchive Project (read-only image of QCFractal)
Periodic table, physical constants, and molecule parsing for quantum chemistry.
A distributed compute and database platform for quantum chemistry.
Combining Psi4 and Numpy for education and development.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
http://guyrt.github.io/2015-06-21-s2i2/
C++ library for the implementation of tensor product calculations through a clean, concise user interface.