Official Resources
- Homepage: https://pyxtal.readthedocs.io/
- Source Repository: https://github.com/QiangZhu/PyXtal
- Documentation: https://pyxtal.readthedocs.io/
- License: MIT
Overview
Status: ℹ️ MODULE
"PyXtal-ML" refers to the machine learning features embedded within the PyXtal library. It is not a separate package. PyXtal includes tools for:
- Generating crystal structures with symmetry constraints for ML training sets.
- Calculating symmetry-weighted structural descriptors.
- Interfacing with machine learning potentials for structure relaxation.
Recommendation
Refer to the PyXtal documentation and repository.
Verification & Sources
- Confidence: ✅ VERIFIED (As part of PyXtal)
- Primary Source: PyXtal GitHub