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1. jax-md jax-md Public

   Forked from jax-md/jax-md

   Differentiable, Hardware Accelerated, Molecular Dynamics

   Jupyter Notebook

2. lammps_tools lammps_tools Public

   tools for running and analyzing lammps simulations

   Jupyter Notebook

3. mace-jax mace-jax Public

   Forked from BAMeScience/mace-jax

   Equivariant machine learning interatomic potentials in JAX.

   Python

4. OPLSAA_for_jax-MD OPLSAA_for_jax-MD Public

   Implementation of the OPLS-AA force field in jax-md

   Python

5. BAMeScience/reactive_md_project BAMeScience/reactive_md_project Public

   jax-md implementation of the reactive step@molecular dynamics method

   Python 1

6. AF2_modeling_tools AF2_modeling_tools Public

   Tools to use AlphaFold2 for modeling including MD

   Python