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PACMAN-charge

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1.3.4 PACMAN_charge-1.3.4-py3-none-any.whl

Wheel Details

Project: PACMAN-charge
Version: 1.3.4
Filename: PACMAN_charge-1.3.4-py3-none-any.whl
Download: [link]
Size: 13388
MD5: a6c66927af32dc4b6b7fe615cf4258bd
SHA256: 66ac035d3845a93458b5c97e39144a86130a35f418e886cab3d1354b5e92c6be
Uploaded: 2024-11-11 15:24:19 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: PACMAN-charge
Version: 1.3.4
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
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3567 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.0)
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=L5NKmvVLdUHEW0QUO8stjM6xFiPY6oq0Zep_yZpKo8k 33814
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-1.3.4.dist-info/LICENSE sha256=JN3XUyglr9eHd04K6BNjL90hOlGfDqijvtkdS3MBz2o 1068
PACMAN_charge-1.3.4.dist-info/METADATA sha256=kjl4EdaoWd7bMuv5MqR0_EOVc2gzWU3_vJtA8szlQx4 4317
PACMAN_charge-1.3.4.dist-info/WHEEL sha256=ewwEueio1C2XeHTvT17n8dZUJgOvyCWCt0WVNLClP9o 92
PACMAN_charge-1.3.4.dist-info/top_level.txt sha256=vzGgkWyWRgfv01LU8OdPNgy4fNqfJwqn0nVWSfhZ33c 17
PACMAN_charge-1.3.4.dist-info/RECORD — —

top_level.txt

PACMANCharge
run