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GitHub / floatingCatty / dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/floatingCatty%2Fdpgen
Fork of deepmodeling/dpgen
Stars: 0
Forks: 0
Open Issues: 0
License: lgpl-3.0
Language:
Repo Size: 7.78 MB
Dependencies:
34
Created: about 1 year ago
Updated: 10 months ago
Last pushed: about 1 year ago
Last synced: 10 months ago
Files
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Readme
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Dependencies
- wearerequired/git-mirror-action v1 composite
.github/workflows/release.yml
actions
- actions/checkout v2 composite
- actions/checkout master composite
- felix5572/conda-publish-action v1.9 composite
- s-weigand/setup-conda v1 composite
- softprops/action-gh-release master composite
.github/workflows/test.yml
actions
- actions/checkout v2 composite
- actions/setup-python v2 composite
- codecov/codecov-action v3 composite
- re-actors/alls-green release/v1 composite
doc/requirements.txt
pypi
- dargs >=0.3.1
- deepmodeling_sphinx >=0.1.1
- myst-parser *
- numpydoc *
- recommonmark *
- sphinx >=4.0.2
- sphinx-argparse *
- sphinx_markdown_tables *
- sphinx_rtd_theme *
pyproject.toml
pypi
- GromacsWrapper >=0.8.0
- ase *
- custodian *
- dargs >=0.2.9
- dpdata >=0.2.6,!=0.2.11
- dpdispatcher >=0.3.11
- h5py *
- monty >2.0.0
- netCDF4 *
- numpy >=1.14.3
- openbabel-wheel *
- packaging *
- paramiko *
- pymatgen >=2022.11.1
- pymatgen-analysis-defects *