Skip to content
@lpwgroup

lpwgroup

Popular repositories Loading

  1. torsiondrive torsiondrive Public

    Dihedral scanner with wavefront propagation

    Python 32 21

  2. respyte respyte Public

    Implementation of open-source version of RESP method

    Python 5 5

  3. learnreactions learnreactions Public

    Identify reaction events in reactive molecular dynamics simulations

    Python 3 4

  4. programming-tutorial programming-tutorial Public

    Tutorial for Python Programming

    Python 2

  5. torsiondrive_examples torsiondrive_examples Public

    Examples for torsiondrive

    Python 2 3

  6. levulinic-nanoreactor-qc levulinic-nanoreactor-qc Public

    Data repository for: Application of the Ab Initio Nanoreactor to the Development of a New Peroxide-Driven Ketone Oxidation Reaction

    Python 2 2

Repositories

Showing 10 of 13 repositories
  • torsiondrive Public

    Dihedral scanner with wavefront propagation

    lpwgroup/torsiondrive’s past year of commit activity
    Python 32 21 5 1 Updated Apr 4, 2024
  • torsiondrive_examples Public

    Examples for torsiondrive

    lpwgroup/torsiondrive_examples’s past year of commit activity
    Python 2 3 0 0 Updated Aug 20, 2023
  • respyte Public

    Implementation of open-source version of RESP method

    lpwgroup/respyte’s past year of commit activity
    Python 5 5 0 0 Updated Nov 11, 2022
  • levulinic-nanoreactor-qc Public

    Data repository for: Application of the Ab Initio Nanoreactor to the Development of a New Peroxide-Driven Ketone Oxidation Reaction

    lpwgroup/levulinic-nanoreactor-qc’s past year of commit activity
    Python 2 2 0 0 Updated May 26, 2020
  • cctools Public Forked from cooperative-computing-lab/cctools

    The Cooperative Computing Tools (cctools) enable large scale distributed computations to harness hundreds to thousands of machines from clusters, clouds, and grids.

    lpwgroup/cctools’s past year of commit activity
    C 0 122 0 0 Updated Nov 3, 2019
  • forcebalance-manager Public

    Web Interface for ForceBalance

    lpwgroup/forcebalance-manager’s past year of commit activity
    JavaScript 0 MIT 0 0 1 Updated Nov 2, 2019
  • qca-dataset-submission Public Forked from openforcefield/qca-dataset-submission

    Data generation and submission scripts for the QCArchive ecosystem.

    lpwgroup/qca-dataset-submission’s past year of commit activity
    Python 0 BSD-3-Clause 6 0 0 Updated Jul 21, 2019
  • torsiondrive-feedstock Public Forked from conda-forge/torsiondrive-feedstock

    A conda-smithy repository for torsiondrive.

    lpwgroup/torsiondrive-feedstock’s past year of commit activity
    Shell 0 BSD-3-Clause 2 0 0 Updated Jun 18, 2019
  • learnreactions Public

    Identify reaction events in reactive molecular dynamics simulations

    lpwgroup/learnreactions’s past year of commit activity
    Python 3 4 0 0 Updated Mar 31, 2019
  • programming-tutorial Public

    Tutorial for Python Programming

    lpwgroup/programming-tutorial’s past year of commit activity
    Python 2 BSD-3-Clause 0 1 0 Updated Aug 23, 2018
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…