Skip to content
@pyscf

pyscf

Popular repositories Loading

  1. pyscf pyscf Public

    Python module for quantum chemistry

    Python 1.2k 566

  2. gpu4pyscf gpu4pyscf Public

    A plugin to use Nvidia GPU in PySCF package

    Cuda 118 21

  3. mpi4pyscf mpi4pyscf Public

    MPI parallelization for PySCF

    Python 33 17

  4. pyscf-forge pyscf-forge Public

    pyscf-forge is a staging ground for code that may be suitable for pyscf-core

    Python 22 20

  5. pyscf.github.io pyscf.github.io Public

    PySCF website and documentation

    TeX 18 47

  6. PySCF_Tutorial PySCF_Tutorial Public

    Forked from nmardirossian/PySCF_Tutorial

    Jupyter Notebook 12 9

Repositories

Showing 10 of 30 repositories
  • pyscf-forge Public

    pyscf-forge is a staging ground for code that may be suitable for pyscf-core

    pyscf/pyscf-forge’s past year of commit activity
    Python 22 Apache-2.0 20 6 2 Updated Sep 18, 2024
  • rt Public
    pyscf/rt’s past year of commit activity
    Python 1 Apache-2.0 0 1 0 Updated Sep 18, 2024
  • pyscf Public

    Python module for quantum chemistry

    pyscf/pyscf’s past year of commit activity
    Python 1,202 Apache-2.0 566 219 (5 issues need help) 13 Updated Sep 18, 2024
  • gpu4pyscf Public

    A plugin to use Nvidia GPU in PySCF package

    pyscf/gpu4pyscf’s past year of commit activity
    Cuda 118 GPL-3.0 21 21 (1 issue needs help) 2 Updated Sep 18, 2024
  • dispersion Public

    PySCF extensions for dispersion calculations

    pyscf/dispersion’s past year of commit activity
    Python 5 Apache-2.0 2 0 0 Updated Sep 15, 2024
  • pyscf.github.io Public

    PySCF website and documentation

    pyscf/pyscf.github.io’s past year of commit activity
    TeX 18 Apache-2.0 47 11 2 Updated Jul 25, 2024
  • pyscf-tblis Public

    A wrapper to call TBLIS functions

    pyscf/pyscf-tblis’s past year of commit activity
    Python 5 Apache-2.0 4 0 0 Updated Jul 8, 2024
  • mpi4pyscf Public

    MPI parallelization for PySCF

    pyscf/mpi4pyscf’s past year of commit activity
    Python 33 GPL-3.0 17 6 0 Updated Jun 1, 2024
  • dmrgscf Public

    DMRG and DMRGSCF

    pyscf/dmrgscf’s past year of commit activity
    Python 9 Apache-2.0 8 1 1 Updated Mar 8, 2024
  • shciscf Public

    An interface to SHCI program Dice developed by Sharma group

    pyscf/shciscf’s past year of commit activity
    Python 6 Apache-2.0 10 3 0 Updated Jan 26, 2024
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…