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aimDIAS

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1.1.0 aimDIAS-1.1.0-py3-none-any.whl
1.0.0 aimDIAS-1.0.0-py3-none-any.whl

Wheel Details

Project: aimDIAS
Version: 1.0.0
Filename: aimDIAS-1.0.0-py3-none-any.whl
Download: [link]
Size: 17239
MD5: 954ad820a9c047a1b4f519887afdf816
SHA256: 1526a7aae95a437abb3925d06e2dab0ec5a0485d60f1238a164584f78743350a
Uploaded: 2024-05-02 11:38:23 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: aimDIAS
Version: 1.0.0
Summary: Very fast D/I analysis with aimnet2
Author: Kang mingi
Author-Email: kangmg[at]korea.ac.kr
Home-Page: https://github.com/kangmg/aimDIAS
Keywords: chemistry,computational chemistry,machine learning
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.10.0
Requires-Dist: matplotlib
Requires-Dist: ase
Requires-Dist: numpy
Requires-Dist: torch (==2.2.1)
Requires-Dist: rdkit (==2023.09.6)
Requires-Dist: py3Dmol (==2.1.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 721 characters]

WHEEL

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

RECORD

Path Digest Size
aimDIAS/DIAS.py sha256=Ewr2__YcLXc9P8vAQOSDjrDtJS935vgHdH7Aivnv2PY 35656
aimDIAS/__init__.py sha256=V_a88gENK_M8b8fE11CAM3oL4bFReFRGAyTII_qtPLo 2729
aimDIAS/aimnet2ase.py sha256=9zT-Yjp0vj90h6HMTi--o4gTX7_gRPRyunngzpCD2JE 2800
aimDIAS/samples.py sha256=tsci2NTzOvwdpqhlgfyrVzfyY0CcAZ9FXBjGYUnQyxY 2653
aimDIAS/utilities.py sha256=XvPh1v3LMCGtDfp3s_wwuXiEhwj5pdAHWmcopJNUal0 8558
aimDIAS-1.0.0.dist-info/LICENSE sha256=7M8VVSAA4kZgKYLZ10yJzsS6iO22hN58cMZPgXnRFNU 1088
aimDIAS-1.0.0.dist-info/METADATA sha256=DdTg14t4gAQqTYvjsQG5QRzVvfZnu__MOk4CD3zrPlE 1488
aimDIAS-1.0.0.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
aimDIAS-1.0.0.dist-info/top_level.txt sha256=UwIpZdD-uaeKWwUWxeW8iYei5jTLZxenBdzfwKd7Xns 8
aimDIAS-1.0.0.dist-info/RECORD — —

top_level.txt

aimDIAS