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2.2.2 aimsim_core-2.2.2-py3-none-any.whl

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Project: aimsim-core
Version: 2.2.2
Filename: aimsim_core-2.2.2-py3-none-any.whl
Download: [link]
Size: 187831
MD5: ec625c662845bf8e0717a24ea54034e1
SHA256: a1c12391a229dbbe8953af183e8982d72fb58e618cd628f2065421c4e0933e99
Uploaded: 2024-08-13 19:53:22 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: aimsim_core
Version: 2.2.2
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: 14369 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.2.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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aimsim/chemical_datastructures/molecule_set.py sha256=AdckdF9shgoUN7k28XdW1vmOYpc3jSZhYkNAhk0MimU 48544
aimsim/ops/__init__.py sha256=eeOvpJ81XmMerIHx2Enhl4vWQEqqRYYlQXrSzNxQ3Eo 118
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aimsim/ops/descriptor.py sha256=wn_v-RlkY6yjMZKEnOCbEC293-Q1dTmn75mdXvdk2jQ 75588
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aimsim_core-2.2.2.dist-info/RECORD — —

top_level.txt

aimsim
interfaces