nequip

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0.6.1 nequip-0.6.1-py3-none-any.whl

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Project: nequip
Version: 0.6.1
Filename: nequip-0.6.1-py3-none-any.whl
Download: [link]
Size: 175389
MD5: d789bbec1ece4f067b16efd740850bf0
SHA256: 75858346266f9b1aef8e9d17f36e8f6f58434a5f6f64f3889293a28941f72db3
Uploaded: 2024-07-09 16:05:26 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: nequip
Version: 0.6.1
Summary: NequIP is an open-source code for building E(3)-equivariant interatomic potentials.
Author: Simon Batzner, Albert Musealian, Lixin Sun, Anders Johansson, Mario Geiger, Tess Smidt
Download-Url: https://github.com/mir-group/nequip
Requires-Python: >=3.7
Requires-Dist: numpy
Requires-Dist: ase
Requires-Dist: tqdm
Requires-Dist: e3nn (<0.6.0,>=0.4.4)
Requires-Dist: pyyaml
Requires-Dist: torch-runstats (>=0.2.0)
Requires-Dist: torch-ema (>=0.3.0)
Requires-Dist: importlib-metadata; python_version < "3.10"
Requires-Dist: contextlib2; python_version < "3.7"
Requires-Dist: contextvars; python_version < "3.7"
Requires-Dist: typing-extensions; python_version < "3.8"
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WHEEL

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top_level.txt

nequip

entry_points.txt

nequip-benchmark = nequip.scripts.benchmark:main
nequip-deploy = nequip.scripts.deploy:main
nequip-evaluate = nequip.scripts.evaluate:main
nequip-train = nequip.scripts.train:main

zip-safe