Wheelodex » Projects » exmol

exmol

View on PyPI — Reverse Dependencies (1)

3.2.1 exmol-3.2.1-py3-none-any.whl

Wheel Details

Project: exmol
Version: 3.2.1
Filename: exmol-3.2.1-py3-none-any.whl
Download: [link]
Size: 4711724
MD5: 8c1f9d68298158d6f4910d8b0c91d789
SHA256: 56a23a0a7d6c8d7fed22f3188fc6369bdf3bd42dc25198bce7830282a7f3a732
Uploaded: 2025-03-08 23:14:30 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.2
Name: exmol
Version: 3.2.1
Summary: Counterfactual generation with STONED SELFIES
Author: Aditi Seshadri, Geemi Wellawatte, Andrew White
Author-Email: andrew.white[at]rochester.edu
Home-Page: https://ur-whitelab.github.io/exmol/
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Typing :: Typed
Requires-Dist: selfies (>=2.0.0)
Requires-Dist: numpy
Requires-Dist: requests
Requires-Dist: tqdm
Requires-Dist: ratelimit
Requires-Dist: rdkit
Requires-Dist: scikit-learn
Requires-Dist: skunk (>=0.4.0)
Requires-Dist: importlib-resources
Requires-Dist: synspace
Requires-Dist: openai
Description-Content-Type: text/markdown
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: license
Dynamic: requires-dist
Dynamic: summary
License-File: LICENSE
License-File: NOTICE.txt
[Description omitted; length: 11363 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.8.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
exmol/__init__.py sha256=eQUM2vca7yKxwOCh18B7Awv1DV-Ns8EHruq5WESqOrM 181
exmol/data.py sha256=xN_gJwHDY4OUybFoJEidL7xsxvqq1K7xW31V6-nfdio 1273
exmol/exmol.py sha256=NPH0vPIBU9tzdXn3Ixw3wgivHSxIhectKSXJsLP0ok8 58391
exmol/plot_utils.py sha256=myk-3-9jc0O1_EUdSPUAn9VMlJyKsJSmPlZKhxiN-ho 12946
exmol/version.py sha256=CtY54zaPh6LGTVXd2ZszEXSUgZvoXfOAPgJP37mRh1U 23
exmol/lime_data/MACCSkeys.txt sha256=lynprFcJI8zVVsSB8rxvFsIiWcgx6zWnrQa6b_57oeY 11465
exmol/lime_data/atom_pols.txt sha256=_u4HIkcGnZ6tZR_Gr4AL2Cx6brLOx2UBcEAaSQusvag 595
exmol/lime_data/keys.pb sha256=7Tj4SRH2AEpUB2o_q-tlz3b11TXk9ap57JjFybfr7FM 23010050
exmol/lime_data/smarts.txt sha256=jt2cxiZTI7RlVm8eylasbhFKlQJUtZz8jj4KEhKgn7w 27976
exmol/stoned/__init__.py sha256=vd4vwiAI9CNIj1mllS3_QU14eNRd1KRpQa0k-jasvpw 23
exmol/stoned/stoned.py sha256=lcgoix42IHHVM-g8OLaCkXjuO7-WrecSbaxhVWDE6eE 21839
exmol-3.2.1.dist-info/LICENSE sha256=uf-MXs4TdIP1nJ8HvHIsj1sJ0WL1KalVx22usQfhcdw 1073
exmol-3.2.1.dist-info/METADATA sha256=zbOd90gjOMXykSCrB0QNRPRSFqE0bASIAT2taZeQF-I 12484
exmol-3.2.1.dist-info/NOTICE.txt sha256=qGWpNbl2Y4l4A-MKjPcdLOXZfm5XGT-bhpgSVKxSBsQ 449
exmol-3.2.1.dist-info/WHEEL sha256=jB7zZ3N9hIM9adW7qlTAyycLYW9npaWKLRzaoVcLKcM 91
exmol-3.2.1.dist-info/top_level.txt sha256=vdLRpBBZqyoAGSTabOZswOcRs02O8X43ZLe1DlcVc5Y 6
exmol-3.2.1.dist-info/RECORD — —

top_level.txt

exmol