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PACMAN-charge

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1.3.9 PACMAN_charge-1.3.9-py3-none-any.whl

Wheel Details

Project: PACMAN-charge
Version: 1.3.9
Filename: PACMAN_charge-1.3.9-py3-none-any.whl
Download: [link]
Size: 13389
MD5: cf1023cbe7af5009d7f6df72a64ffac8
SHA256: ea8e5ef5ac7c5aaaa18e0f569220ee5dc29945521a5286ced2d095c9f2308dd2
Uploaded: 2025-02-21 09:26:37 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: PACMAN-charge
Version: 1.3.9
Summary: Partial Atomic Charges for Porous Materials based on Graph Convolutional Neural Network (PACMAN)
Author: Guobin Zhao
Author-Email: sxmzhaogb[at]gmai.com
Home-Page: https://github.com/mtap-research/PACMAN-charge/
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Requires-Dist: requests
Requires-Dist: numpy (>=1.13.3)
Requires-Dist: pymatgen (>=2018.6.11)
Requires-Dist: ase (>=3.19)
Requires-Dist: tqdm (>=4.15)
Requires-Dist: pandas (>=0.20.3)
Requires-Dist: scikit-learn (>=0.19.1)
Requires-Dist: joblib (>=0.13.2)
Requires-Dist: torch
Requires-Dist: PyCifRW (==4.4.6)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3567 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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PACMANCharge/atom_init.json sha256=y5C9Ilfb-M_E5rK21DSNRhbo6WgPEzmxRhE3Ay4PGJQ 28392
PACMANCharge/pmcharge.py sha256=WpUFePyPlHPXO344hIxf-ORAngBmX3DJlcgbtqZWPLA 33720
run/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
run/run_test.py sha256=gdOagdMUDfN7ab26gs0HwmnPnrqaQkWKVgt-ZrbMZrM 677
run/test.py sha256=h7BX1S7W_ZSndhU0mPsHVwCrvIUyeoLLx9vtMRAoFy0 742
PACMAN_charge-1.3.9.dist-info/LICENSE sha256=JN3XUyglr9eHd04K6BNjL90hOlGfDqijvtkdS3MBz2o 1068
PACMAN_charge-1.3.9.dist-info/METADATA sha256=jjjJI0GLoz49ChUgZkSpFV__ND3VC77IDlOI9Vle6vk 4303
PACMAN_charge-1.3.9.dist-info/WHEEL sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ 91
PACMAN_charge-1.3.9.dist-info/top_level.txt sha256=vzGgkWyWRgfv01LU8OdPNgy4fNqfJwqn0nVWSfhZ33c 17
PACMAN_charge-1.3.9.dist-info/RECORD — —

top_level.txt

PACMANCharge
run