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  1. OpenBioSim/biosimspace OpenBioSim/biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    Python 150 19

  2. OpenBioSim/sire OpenBioSim/sire Public

    Sire Molecular Simulations Framework

    C++ 64 15

  3. chemle/emle-engine chemle/emle-engine Public

    An engine for electrostatic ML embedding for multiscale modelling.

    Python 27 7

  4. vmmc vmmc Public

    A C++ library to implement the "virtual-move" Monte Carlo algorithm for approximating the dynamical evolution of systems of strongly interacting overdamped particles.

    C++ 21 12

  5. aabbcc aabbcc Public

    Dynamic AABB trees in C++ with support for periodic systems.

    C++ 341 63

  6. slsm slsm Public

    A C++ implementation of a stochastic level-set method.

    C++ 30 7