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@Analytics4MD

Analytics4MD

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  1. analytics4md.github.io analytics4md.github.io Public

    JavaScript 1 1

  2. plumed2 plumed2 Public

    Forked from plumed/plumed2

    Development version of plumed 2

    C++

  3. Catch2 Catch2 Public

    Forked from catchorg/Catch2

    A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)

    C++

  4. mdtraj mdtraj Public

    Forked from mdtraj/mdtraj

    A modern, open library for the analysis of molecular dynamics trajectories

    C

  5. insitu-ensemble-simulator insitu-ensemble-simulator Public

    Jupyter Notebook

  6. A4MD A4MD Public

    The project's harnessed knowledge of molecular structures' transformations at runtime can be used to steer simulations to more promising areas of the simulation space, identify the data that should…

    C++

Repositories

Showing 9 of 9 repositories
  • benchpark Public Forked from LLNL/benchpark

    An open collaborative repository for reproducible specifications of HPC benchmarks and cross site benchmarking environments

    Analytics4MD/benchpark’s past year of commit activity
    Python 0 Apache-2.0 25 2 0 Updated Nov 6, 2024
  • A4MD_conformational_space_validation Public

    The project's harnessed knowledge of molecular structures' transformations at runtime can be used to steer simulations to more promising areas of the simulation space, identify the data that should be written to congested parallel file systems, and index generated data for retrieval and post-simulation analysis.

    Analytics4MD/A4MD_conformational_space_validation’s past year of commit activity
    Jupyter Notebook 0 Apache-2.0 0 0 0 Updated Jul 29, 2024
  • A4MD Public

    The project's harnessed knowledge of molecular structures' transformations at runtime can be used to steer simulations to more promising areas of the simulation space, identify the data that should be written to congested parallel file systems, and index generated data for retrieval and post-simulation analysis.

    Analytics4MD/A4MD’s past year of commit activity
    C++ 0 Apache-2.0 0 0 0 Updated Feb 20, 2024
  • dspaces-spack Public Forked from rdi2dspaces/dspaces-spack

    A Spack repo for DataSpaces 2.x

    Analytics4MD/dspaces-spack’s past year of commit activity
    Python 0 1 0 0 Updated Feb 19, 2024
  • analytics4md.github.io Public
    Analytics4MD/analytics4md.github.io’s past year of commit activity
    JavaScript 1 1 0 0 Updated Jan 4, 2024
  • insitu-ensemble-simulator Public
    Analytics4MD/insitu-ensemble-simulator’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Aug 19, 2022
  • plumed2 Public Forked from plumed/plumed2

    Development version of plumed 2

    Analytics4MD/plumed2’s past year of commit activity
    C++ 0 LGPL-3.0 291 0 0 Updated Oct 7, 2021
  • mdtraj Public Forked from mdtraj/mdtraj

    A modern, open library for the analysis of molecular dynamics trajectories

    Analytics4MD/mdtraj’s past year of commit activity
    C 0 LGPL-2.1 281 0 0 Updated Feb 13, 2019
  • Catch2 Public Forked from catchorg/Catch2

    A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)

    Analytics4MD/Catch2’s past year of commit activity
    C++ 0 BSL-1.0 3,253 0 0 Updated Jan 11, 2019

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