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1. OpenBioSim/biosimspace OpenBioSim/biosimspace Public

   An interoperable Python framework for biomolecular simulation.

   Python 89 15

2. OpenBioSim/sire OpenBioSim/sire Public

   Sire Molecular Simulations Framework

   C++ 45 11

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

   An engine for electrostatic ML embedding for multiscale modelling.

   Python 13 3

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++ 19 10

5. aabbcc aabbcc Public

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

   C++ 326 60

6. slsm slsm Public

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

   C++ 27 7