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 Schema for Quantum Chemistry

A distributed compute and database platform for quantum chemistry.

Combining Psi4 and Numpy for education and development.

C++ associative containers

Open source stochastic quantum chemistry

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.