ase
Here are 96 public repositories matching this topic...
A deep learning package for many-body potential energy representation and molecular dynamics
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May 30, 2024 - C++
build, analyse and visualise atomistic structures for materials science
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May 29, 2024 - Python
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May 29, 2024 - Java
Python Suite for Advanced General Ensemble Simulations
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May 30, 2024 - Python
Interfaces for atomistic simulation codes and workflows
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May 27, 2024 - Jupyter Notebook
Import and export aco, act and ase (Adobe Swatch Exchange) files in Aseprite.
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May 27, 2024 - Lua
Generating Deep Potential with Python
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May 29, 2024 - Python
reimplementation of the DFT-D3 program
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May 9, 2024 - Fortran
pyiron - an integrated development environment (IDE) for computational materials science.
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May 6, 2024 - Jupyter Notebook
Collection of python functions to work with aiida, pymatgen and VASP. Designed to speed up input setup and output analysis.
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May 1, 2024 - Python
A blender addon for the import of atomic structures using the atomic simulation environment (ASE).
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Apr 17, 2024 - Python
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