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2.2.0 aimsim_core-2.2.0-py3-none-any.whl

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Project: aimsim-core
Version: 2.2.0
Filename: aimsim_core-2.2.0-py3-none-any.whl
Download: [link]
Size: 187655
MD5: 70bc7ae9bc175a10146da47ecb6a65b3
SHA256: a661d7d166ac68716f8b80aae9a464b056404d1c1dea39a9f8e6c1db91ec6a37
Uploaded: 2024-04-15 16:35:43 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: aimsim_core
Version: 2.2.0
Summary: Core AIMSim molecular featurization and comparison utilities.
Author: Himaghna Bhattacharjee, Jackson Burns
Home-Page: https://github.com/VlachosGroup/AIMSim
License: MIT
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.8
Requires-Dist: psutil
Requires-Dist: scikit-learn
Requires-Dist: rdkit
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: padelpy
Requires-Dist: mhfp
Requires-Dist: mordredcommunity
Requires-Dist: multiprocess (>=0.70)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 13942 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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aimsim/__main__.py sha256=OjaZNJbheoPUgy0E8wM5hqAvJrkhbtSDd6g1707-GtQ 453
aimsim/exceptions.py sha256=IweEh7uEpu4vtONB8a1wu4QaEPixHD4qKL3eSevjSg8 1074
aimsim/chemical_datastructures/__init__.py sha256=i1mSL6XKwvGcYYf34wM7yC-GzaOZpJv3AHRkJ7AsIbI 69
aimsim/chemical_datastructures/molecule.py sha256=vTTIOgPyAhfIxhwTM4U1NRRdPhbKxsfJFVFLYrXfSdk 10937
aimsim/chemical_datastructures/molecule_set.py sha256=AdckdF9shgoUN7k28XdW1vmOYpc3jSZhYkNAhk0MimU 48544
aimsim/ops/__init__.py sha256=eeOvpJ81XmMerIHx2Enhl4vWQEqqRYYlQXrSzNxQ3Eo 118
aimsim/ops/clustering.py sha256=SZXGa3Eui62vXRbj89Z8RcV2GuLyty-bIEpZRuIVyxU 6011
aimsim/ops/descriptor.py sha256=QZU3uLf4MKLVXRvFIdeja6NXfoWXJMqIU060IjVWMmo 75466
aimsim/ops/similarity_measures.py sha256=6bpmcJ0vUp9Uv7QAf2NI0YLTeZFpdtxLKLTCW7-pAdo 63184
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aimsim_core-2.2.0.dist-info/RECORD — —

top_level.txt

aimsim
interfaces