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Project: nfflr
Version: 0.3.1
Filename: nfflr-0.3.1-py3-none-any.whl
Download: [link]
Size: 92116
MD5: c044e1b985c1b6ebd6d06aca6f4ec33d
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Uploaded: 2024-03-08 20:04:45 +0000

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METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: nfflr
Version: 0.3.1
Summary: neural force field learning toolkit
Author-Email: Brian DeCost <brian.decost[at]nist.gov>, Kamal Choudhary <kamal.choudhary[at]nist.gov>
Project-Url: homepage, https://pages.nist.gov/nfflr
Project-Url: documentation, https://pages.nist.gov/nfflr
Project-Url: repository, https://github.com/usnistgov/nfflr
Project-Url: issues, https://github.com/usnistgov/nfflr/issues
Requires-Python: >=3.7
Requires-Dist: ase
Requires-Dist: ray[tune]
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: torch
Requires-Dist: typer
Requires-Dist: einops
Requires-Dist: pandas
Requires-Dist: pykeops
Requires-Dist: mendeleev
Requires-Dist: matplotlib
Requires-Dist: cached-path
Requires-Dist: platformdirs
Requires-Dist: plum-dispatch
Requires-Dist: pytorch-ignite
Requires-Dist: py-config-runner
Requires-Dist: dgl (>=0.6.0)
Requires-Dist: jarvis-tools (>=2021.07.19)
Description-Content-Type: text/markdown
License-File: LICENSE.rst
[Description omitted; length: 2542 characters]

WHEEL

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Tag: py3-none-any

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nfflr-0.3.1.dist-info/RECORD — —

top_level.txt

nfflr

entry_points.txt

[console_scripts]
nff = nfflr.train.trainer:cli
nffd = nfflr.train.distributed:main