A deep learning package for many-body potential energy representation and molecular dynamics
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Updated
May 14, 2024 - C++
A deep learning package for many-body potential energy representation and molecular dynamics
Interfaces for atomistic simulation codes and workflows
build, analyse and visualise atomistic structures for materials science
reimplementation of the DFT-D3 program
pyiron - an integrated development environment (IDE) for computational materials science.
Collection of python functions to work with aiida, pymatgen and VASP. Designed to speed up input setup and output analysis.
Generating Deep Potential with Python
Import and export aco, act and ase (Adobe Swatch Exchange) files in Aseprite.
A blender addon for the import of atomic structures using the atomic simulation environment (ASE).
Python Suite for Advanced General Ensemble Simulations
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