Popular repositories Loading

1. psi4 psi4 Public

   Forked from psi4/psi4

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

   C++

2. OpenBLAS OpenBLAS Public

   Forked from OpenMathLib/OpenBLAS

   OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

   C

3. PES-Fitting-MSA PES-Fitting-MSA Public

   Forked from Kee-Wang/PES-Fitting-MSA

   MSA--Bowman Group

   C++

4. MSA-2.0 MSA-2.0 Public

   Forked from szquchen/MSA-2.0

   Fitting potential energy surface using monomial symmetrization approach

   C++

5. 1D-scan 1D-scan Public

   Generate 1D scans of molecules

   C++

6. approach-generator approach-generator Public

   Tool for sampling the configuration space of two approaching molecules via random Cartesian displacements and uniform random rotation quaternions

   C++