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swarm-cg

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1.2.5 swarm_cg-1.2.5-py3-none-any.whl

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Project: swarm-cg
Version: 1.2.5
Filename: swarm_cg-1.2.5-py3-none-any.whl
Download: [link]
Size: 68919
MD5: 9aa838d0df3d6cc213f7b7924de43a78
SHA256: 17a90798a44f57037b931c4222b0d6cbd6e4acc3bd6010f4f6b5046338cda577
Uploaded: 2021-03-01 15:40:05 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: swarm-cg
Version: 1.2.5
Summary: Tools for automatic parametrization of bonded terms in coarse-grained molecular models, with respect to an all-atom trajectory
Author: Charly Empereur-mot
Author-Email: charly.empereur[at]gmail.com
Home-Page: https://github.com/GMPavanLab/Swarm-CG
Download-Url: https://github.com/GMPavanLab/Swarm-CG/archive/v1.2.5.tar.gz
License: MIT
Keywords: gromacs,coarse-grain,molecular model,optimization,force field
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Requires-Dist: numpy (>=1.16.4)
Requires-Dist: scipy (>=1.2.2)
Requires-Dist: pyemd (>=0.5.1)
Requires-Dist: matplotlib (>=3.2.2)
Requires-Dist: fst-pso (>=1.4.12)
Requires-Dist: MDAnalysis (>=1.0.0)
Description-Content-Type: text/markdown
[Description omitted; length: 8483 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.35.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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swarmcg/analyze_optimization.py sha256=Ct8PBi7YK5KlHXpao4qTXLDp4AWMtCcn9Snjo8p-qLc 30897
swarmcg/config.py sha256=6UyygaNSUtVmhn3Ru12kUGvJ6BQ6VaoIPI6CcZ4d4dY 7995
swarmcg/evaluate_model.py sha256=iMYGDFsaWQer-tF-8SnW2U3hWtWh__tOsykpvFB9mXY 11707
swarmcg/optimize_model.py sha256=QE5cDphA6HnfSPrr0666LO9MJ2eHQDly4DERndDbDr8 50851
swarmcg/swarmCG.py sha256=dLhUfA2aNZshVUoBtYwrgoYy4ajzpICn9XsWhz-U_Yw 152185
swarmcg/shared/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
swarmcg/shared/exceptions.py sha256=rDFXJdiZBBypAG4-GDt_HxTqzlCqRcBJfn94A-qDUOU 1841
swarmcg/shared/io.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
swarmcg/shared/styling.py sha256=pZCjsTnHiR7B_yIqYvEro2lX7O6Ev9J3K3tl6IMRKD4 9205
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swarmcg/simulations/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
swarmcg/simulations/potentials.py sha256=YrtgU18uPLQh2y-GyoXus2HvsMrrrkZV91AM386pdWo 1082
swarmcg/simulations/vs_functions.py sha256=wXdi03MxsFpqPA4V2-Yc3EepbJ_9_OVoJZyDMJSd4-E 7029
swarm_cg-1.2.5.dist-info/LICENSE.txt sha256=7hHMQvdUf6Yccqr702ePXpDYpo6Q35Z9sMNyA0hhmzA 1067
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swarm_cg-1.2.5.dist-info/entry_points.txt sha256=WqLyuvyyJ7HIeCJqPk-WgAx9HFAEPyOXVY6zru9S9qE 153
swarm_cg-1.2.5.dist-info/top_level.txt sha256=tjQPUVP0tvsj5_Xk8bLRRmw5cUEInW5G3GE6AZs44CU 8
swarm_cg-1.2.5.dist-info/RECORD — —

top_level.txt

swarmcg

entry_points.txt

[console_scripts]
scg_evaluate = swarmcg.evaluate_model:main
scg_monitor = swarmcg.analyze_optimization:main
scg_optimize = swarmcg.optimize_model:main