molecular-dynamics

9 projects share this GitHub topic

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🧬 Members

Public development project of the LAMMPS MD software package

A deep learning package for many-body potential energy representation and molecular dynamics

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

awesome-python-chemistry

A curated list of Python packages related to chemistry

Graphics Processing Units Molecular Dynamics

pyiron - an integrated development environment (IDE) for computational materials science.

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

Packmol - Initial configurations for molecular dynamics simulations

lammps-input-files

LAMMPS inputs and data files

🔗 Related families

lammps 4 cuda 90 gpu 93 jax 60 materials-science 5 rocm 13 chemistry 4 quantum-chemistry 5

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