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ABFE-Workflow

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0.5.0 ABFE_Workflow-0.5.0-py3-none-any.whl

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Project: ABFE-Workflow
Version: 0.5.0
Filename: ABFE_Workflow-0.5.0-py3-none-any.whl
Download: [link]
Size: 113645
MD5: f3183e1515b7ba3a3c30dffb1ec26dd8
SHA256: 971679f7565c6b5e661827dbba1a862a3affaee21c2e0c18e333260ca5dde4ce
Uploaded: 2023-10-05 18:57:57 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: ABFE-Workflow
Version: 0.5.0
Summary: ABFE Workflow is a pipeline variant of our prior work.
Author: Irfan Alibay
Author-Email: Benjamin Ries <benjamin.ries[at]boehringer-ingelheim.com>, Philip Biggins <philip.biggin[at]bioch.ox.ac.uk>, Aniket Magarkar <aniket.magarkar[at]boehringer-ingelheim.com>
Project-Url: Homepage, https://github.com/bigginlab/ABFE_workflow
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Requires-Dist: snakemake
Requires-Dist: pymbar
Requires-Dist: alchemlyb
Requires-Dist: gromacs
Requires-Dist: scipy
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: argparse
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4257 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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ABFE_Workflow-0.5.0.dist-info/RECORD — —

top_level.txt

abfe
abfe_cli

entry_points.txt

[console_scripts]
abfe_slurm_status = abfe.scripts.abfe_slurm_status:main
cli-abfe = abfe_cli.ABFECalculator:main
cli-abfe-gmx = abfe_cli.ABFECalculatorGmx:main