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extxyz
Here are 3 public repositories matching this topic...
ASE with Rust hot paths — 12× faster neighbor lists, 6× faster VASP IO, 3.5× faster extxyz. Drop-in: pip install ase-fast
molecular-dynamics vasp mace ase interatomic-potentials atomistic-simulation machine-learning-interatomic-potentials extxyz
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Mar 28, 2026 - Python
Browser-native molecular trajectory viewer with force coloring, atom measurements, and Extended XYZ / VASP parsers. Extracted from simviz.io.
react typescript vasp computational-chemistry poscar mace uma ase 3dmol molecular-visualization extxyz xdatcar ml-force-field
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Updated
Apr 28, 2026 - TypeScript
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