ase
Here are 98 public repositories matching this topic...
build, analyse and visualise atomistic structures for materials science
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Jun 11, 2024 - Python
A deep learning package for many-body potential energy representation and molecular dynamics
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Jun 12, 2024 - C++
Interfaces for atomistic simulation codes and workflows
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Jun 11, 2024 - Jupyter Notebook
pyiron - an integrated development environment (IDE) for computational materials science.
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Jun 10, 2024 - Jupyter Notebook
reimplementation of the DFT-D3 program
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Jun 10, 2024 - Fortran
Python Suite for Advanced General Ensemble Simulations
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Jun 10, 2024 - Python
Convert Procreate Swatches files to ASE format (Adobe Swatch Exchange). Can be used for importing Procreate palettes into Photoshop or other programs like Illustrator or Affinity Designer.
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Jun 4, 2024 - TypeScript
Generating Deep Potential with Python
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Jun 11, 2024 - Python
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May 29, 2024 - Java
Import and export aco, act and ase (Adobe Swatch Exchange) files in Aseprite.
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May 27, 2024 - Lua
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
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