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An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),
A distributed compute and database platform for quantum chemistry.
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Quantum chemistry program executor and IO standardizer (QCSchema).
MBX is an energy and force calculator for data-driven many-body simulations.
Portable wrapper for SIMD and vector instructions written in C++11. Compatible with NEON, SSE, AVX, AVX-512 and SVE (length specific).
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python