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1.3.8 molgri-1.3.8-py3-none-any.whl

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Project: molgri
Version: 1.3.8
Filename: molgri-1.3.8-py3-none-any.whl
Download: [link]
Size: 227139
MD5: 87d44a825ce4ce78acf34fc1275114c0
SHA256: b63fe51510d2ba909968e80750e07e1fddefc4fa0e11b274c3c06e878400e207
Uploaded: 2023-08-10 13:09:05 +0000

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METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: molgri
Version: 1.3.8
Summary: Generate molecular pseudotrajectories based on rotational grids.
Author: Hana Zupan
Author-Email: hana.zupan[at]fu-berlin.de
Home-Page: https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/PhysTheoChem/agkeller/index.html
Project-Url: Documentation, https://molgri.readthedocs.io/en/main/
Project-Url: Repository, https://github.com/bkellerlab/molecularRotationalGrids
License: LICENSE
Keywords: pseudotrajectory,molecular grids,association,state space discretisation
Classifier: License :: Other/Proprietary License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Requires-Python: >=3.9,<3.13
Requires-Dist: MDAnalysis (<2.5.0,>=2.4.0)
Requires-Dist: ipython (<8.13.0,>=8.12.2)
Requires-Dist: matplotlib (<3.8.0,>=3.7.2)
Requires-Dist: networkx (<2.9.0,>=2.8.8)
Requires-Dist: numpy (<1.26.0,>=1.25.2)
Requires-Dist: pandas (<2.1.0,>=2.0.3)
Requires-Dist: scipy (<1.12.0,>=1.11.1)
Requires-Dist: seaborn (>=0.12.2)
Requires-Dist: tqdm (<4.67.0,>=4.66.0)
Description-Content-Type: text/markdown
[Description omitted; length: 10858 characters]

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entry_points.txt

[console_scripts]
molgri-energy = molgri.scripts.generate_energy:run_generate_energy
molgri-grid = molgri.scripts.generate_grid:run_generate_grid
molgri-io = molgri.scripts.set_up_io:parse_and_create
molgri-pt = molgri.scripts.generate_pt:run_generate_pt