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Popular repositories

  1. ASE-PBNN-Calculator ASE-PBNN-Calculator Public archive

    Python 1

  2. PBNN PBNN Public

    Code for training and running reactive molecular dynamics and QM/MM simulations

    Python 1

  3. crank crank Public

    Forked from lpwgroup/crank-legacy

    Python

  4. forcebalance forcebalance Public

    Forked from leeping/forcebalance

    Systematic force field optimization.

    Python

  5. openmm openmm Public

    Forked from openmm/openmm

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++

  6. geomeTRIC geomeTRIC Public

    Forked from leeping/geomeTRIC

    Geometry optimization code that includes the TRIC coordinate system

    Python