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  1. meld meld Public

    Modeling with limited data

    Python 55 28

  2. martini_openmm martini_openmm Public

    Python 51 14

  3. BoltzmannGenerator BoltzmannGenerator Public

    An implementation of Boltzmann generators using pytorch.

    Python 11 5

  4. meld-openmm-plugin meld-openmm-plugin Public

    Meld plugin for OpenMM

    C++ 3 6

  5. conda-recipes conda-recipes Public

    Forked from omnia-md/conda-recipes

    conda build recipes for the Omnia project

    C 2

  6. adaptremd adaptremd Public

    Adaptive REMD using SGD

    Jupyter Notebook 1

Repositories

Showing 10 of 21 repositories
  • nmr Public
    maccallumlab/nmr’s past year of commit activity
    Python 0 MIT 0 0 1 Updated Dec 20, 2024
  • meld Public

    Modeling with limited data

    maccallumlab/meld’s past year of commit activity
    Python 55 28 32 (1 issue needs help) 3 Updated Nov 15, 2024
  • martini_openmm Public
    maccallumlab/martini_openmm’s past year of commit activity
    Python 51 LGPL-3.0 14 4 2 Updated Apr 28, 2023
  • meld-feedstock Public Forked from conda-forge/meld-feedstock

    A conda-smithy repository for meld.

    maccallumlab/meld-feedstock’s past year of commit activity
    Shell 0 BSD-3-Clause 3 0 0 Updated Mar 26, 2022
  • meld_singularity Public

    Singularity definition for meld

    maccallumlab/meld_singularity’s past year of commit activity
    0 0 0 0 Updated Nov 24, 2021
  • calmodulin_pre_paper Public
    maccallumlab/calmodulin_pre_paper’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 5, 2021
  • sparse_noe Public

    Scripts for Sparse NOE paper

    maccallumlab/sparse_noe’s past year of commit activity
    0 MIT 0 0 0 Updated Feb 10, 2021
  • meld-pkg Public archive

    Scripts to create cuda-specific openmm and meld packages

    maccallumlab/meld-pkg’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Jun 25, 2020
  • BoltzmannGenerator Public

    An implementation of Boltzmann generators using pytorch.

    maccallumlab/BoltzmannGenerator’s past year of commit activity
    Python 11 MIT 5 0 0 Updated Dec 2, 2019
  • waterfall Public
    maccallumlab/waterfall’s past year of commit activity
    Python 0 LGPL-3.0 0 4 0 Updated Oct 15, 2019
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