FICHA · AUR
python-ase
Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.
- Atomistic simulation toolkit
- LIBRARY
- CLI
- Dependency only
· official+codex · reviewed · Jun 3, 2026 description in en
Atomic simulations can be set up, manipulated, run, visualized, and analyzed through ASE tools and modules. This package is for researchers and engineers working with atomistic models and computational materials workflows. Results depend on model choices, calculators, and input structures.
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