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

Lammps Tutorials ⭐ 173

LAMMPS tutorials for Beginners

Pyiron_atomistics ⭐ 31

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.

Peggenerator ⭐ 17

Generate PEG topology for GROMACS and LAMMPS

Aenet Lammps ⭐ 14

This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural network (ANN) potential parameter file of BCC iron.

How To Lammps ⭐ 9

How-to perform LAMMPS simulations

Ml_for_kirigami_design ⭐ 9

Python package to model and to perform topology optimization for graphene kirigami using deep learning

Old Lammps Inputs ⭐ 7

LAMMPS tutorials for both beginners and advanced users

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