andysim

andysim's Stars

• andyj10224/fmm

  An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),

  Language:Python42

• MolSSI/QCSchema

  A Schema for Quantum Chemistry

  Language:Python9636

• MolSSI/QCFractal

  A distributed compute and database platform for quantum chemistry.

  Language:Python14447

• MolSSI/QCPortal

  A client interface to the QCArchive Project (read-only image of QCFractal)

  Language:Python3513

• MolSSI/QCElemental

  Periodic table, physical constants, and molecule parsing for quantum chemistry.

  Language:Python14170

• MolSSI/QCEngine

  Quantum chemistry program executor and IO standardizer (QCSchema).

  Language:Python16679

• paesanilab/MBX

  MBX is an energy and force calculator for data-driven many-body simulations.

  Language:C++2830

• aff3ct/MIPP

  MIPP is a portable wrapper for SIMD instructions written in C++11. It supports NEON, SSE, AVX, AVX-512 and SVE (length specific).

  Language:C++47586

• psi4/psi4

  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

  Language:C++962442

• hpshelton/cheMVP

  An electronic molecular visualization tool

  Language:C++21