Nothing Special   »   [go: up one dir, main page]
Skip to content
@CQPES

CQPES

README.md

CQPES

ChongQing Potential Energy Surface: Next generation polynomial based potential energy surface package.

Pinned Loading

  1. cqpes-legacy cqpes-legacy Public

    Fortran 2

  2. cqpes-legacy-polyrate cqpes-legacy-polyrate Public

    Polyrate with CQPES Legacy

    Fortran

  3. PyMSA-Builder PyMSA-Builder Public

    Wrapper for using MSA-2.0 to generate Fortran code, Python module, and C code.

    Perl

  4. Gaussian-PES Gaussian-PES Public

    Interface for invoking PES from Gaussian

    Python 2 1

  5. Model-Zoo Model-Zoo Public

    Dataset and PES by Jun Li's Group

    Fortran 4 1

  6. venus-trjconv venus-trjconv Public

    Forked from mizu-bai/venus-trjconv

    A VENUS96 trajectory converter

    Python

Repositories

Showing 10 of 15 repositories
  • Active-Delta-ML Public

    Active Delta Machine Learning

    CQPES/Active-Delta-ML’s past year of commit activity
    MATLAB 0 BSD-2-Clause 0 0 0 Updated Oct 24, 2024
  • plot-tools Public

    Helpful scripts

    CQPES/plot-tools’s past year of commit activity
    MATLAB 0 BSD-2-Clause 0 0 0 Updated Oct 24, 2024
  • Gaussian-PES Public

    Interface for invoking PES from Gaussian

    CQPES/Gaussian-PES’s past year of commit activity
    Python 2 BSD-2-Clause 1 0 0 Updated Oct 18, 2024
  • cqpes-legacy Public
    CQPES/cqpes-legacy’s past year of commit activity
    Fortran 2 BSD-2-Clause 0 0 0 Updated Jul 12, 2024
  • cqpes-legacy-polyrate Public

    Polyrate with CQPES Legacy

    CQPES/cqpes-legacy-polyrate’s past year of commit activity
    Fortran 0 0 0 0 Updated Jul 9, 2024
  • pykan Public Forked from KindXiaoming/pykan

    Kolmogorov Arnold Networks

    CQPES/pykan’s past year of commit activity
    Jupyter Notebook 0 MIT 1,429 0 0 Updated May 3, 2024
  • Model-Zoo Public

    Dataset and PES by Jun Li's Group

    CQPES/Model-Zoo’s past year of commit activity
    Fortran 4 BSD-2-Clause 1 0 0 Updated Apr 15, 2024
  • MSA-2.0 Public Forked from szquchen/MSA-2.0

    Fitting potential energy surface using monomial symmetrization approach

    CQPES/MSA-2.0’s past year of commit activity
    C++ 0 4 0 0 Updated Apr 11, 2024
  • openmm-ml Public Forked from openmm/openmm-ml

    High level API for using machine learning models in OpenMM simulations

    CQPES/openmm-ml’s past year of commit activity
    Python 0 27 0 0 Updated Mar 5, 2024
  • venus-trjconv Public Forked from mizu-bai/venus-trjconv

    A VENUS96 trajectory converter

    CQPES/venus-trjconv’s past year of commit activity
    Python 0 BSD-2-Clause 1 0 0 Updated Feb 28, 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…