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apvlv

atpyscf

Attache running pyscf process and make hot deployment

bagel

Brilliantly Advanced General Electronic-structure Library

block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.

capi_example

examples of C extension for python

cc

Code generator for Coupled Cluster theory

conda-test

ctf

Cyclops Tensor Framework: distributed-memory tensor algebra

ctfccsd

Using CTF to parallelize CCSD and kCCSD code

dask4pyscf

dispy

Distributed and Parallel Computing Framework with / for Python

geometric

Geometry optimization code that includes the TRIC coordinate system

gpu4pyscf

ipyvolume

3d plotting for Python in the Jupyter notebook based on IPython widgets using WebGL

libcint

general GTO integrals for quantum chemistry

libintx

local_mp2

mainline

The mainline development distribution for QWalk

mc2champ

mcfun

Multi-collinear functional

mcscf_dmet

metamcscf

mpi4pyscf

MPI parallelization for PySCF

mpmath

Python library for arbitrary-precision floating-point arithmetic

numpy

The fundamental package for scientific computing with Python.

nwints

nwchem-libcint

openfermion

OpenFermion: The Electronic Structure Package For Quantum Computers.

openfermion-pyscf

OpenFermion plugin to interface with the electronic structure package PySCF.

pbchf

An example to implement PBC SCF

potato