pypi.org "machine-learned interatomic potentials" keyword
pesmaker 0.1.0
Foundation-potential-assisted workflow for application-oriented machine-learning potential datase...1 version - Latest release: 5 months ago - 11 downloads last month - 9 stars on GitHub - 1 maintainer
atombatch 0.1.2
Batch energy and force evaluations from many independent ASE tasks into shared model calls.2 versions - Latest release: 23 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer