sk Skill · Hello-QM
dpdata
Convert between computational chemistry data formats using dpdata. Handles VASP, QE, CP2K, Gaussian, LAMMPS, and DeePMD formats. Essential for preparing ML potential training data.
Open on skills.sh ↗read 2026-09-15
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pythonbash
- Host repository
- Hello-QM/catgo-LRG
- Compatible with
- Requires dpdata Python package (pip install dpdata). Works on any platform.
- Host stars
- 199