gptchem

View on PyPIReverse Dependencies (0)

0.0.5 gptchem-0.0.5-py3-none-any.whl

Wheel Details

Project: gptchem
Version: 0.0.5
Filename: gptchem-0.0.5-py3-none-any.whl
Download: [link]
Size: 64946
MD5: 1070b7ba75a646c4f730721f61eb4245
SHA256: c57aa1f11c32fd56e6d3c205ebf8c995f66699b8cb1e305242f5dabe1884a110
Uploaded: 2023-10-04 11:28:07 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: gptchem
Version: 0.0.5
Summary: Use GPT-3 to solve chemistry problems
Author: Kevin M. Jablonka
Author-Email: mail[at]kjablonka.com
Maintainer: Kevin M. Jablonka
Maintainer-Email: mail[at]kjablonka.com
Home-Page: https://github.com/kjappelbaum/gptchem
Download-Url: https://github.com/kjappelbaum/gptchem/releases
Project-Url: Bug Tracker, https://github.com/kjappelbaum/gptchem/issues
Project-Url: Source Code, https://github.com/kjappelbaum/gptchem
License: MIT
Classifier: Development Status :: 1 - Planning
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Framework :: Pytest
Classifier: Framework :: tox
Classifier: Framework :: Sphinx
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3 :: Only
Requires-Python: >=3.8
Requires-Dist: loguru
Requires-Dist: openai
Requires-Dist: fire
Requires-Dist: fastcore
Requires-Dist: typing-extensions
Requires-Dist: scikit-learn
Requires-Dist: pystow
Requires-Dist: pandas
Requires-Dist: selfies
Requires-Dist: rdkit
Requires-Dist: tenacity
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: furo; extra == "docs"
Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
Requires-Dist: sphinx-automodapi; extra == "docs"
Requires-Dist: sphinx-copybutton; extra == "docs"
Requires-Dist: fcd; extra == "eval"
Requires-Dist: pubchempy; extra == "eval"
Requires-Dist: pycm; extra == "eval"
Requires-Dist: submitit; extra == "eval"
Requires-Dist: guacamol; extra == "eval"
Requires-Dist: strsimpy; extra == "eval"
Requires-Dist: diskcache; extra == "eval"
Requires-Dist: colorcet; extra == "experiments"
Requires-Dist: SciencePlots; extra == "experiments"
Requires-Dist: pycm; extra == "experiments"
Requires-Dist: xgboost; extra == "experiments"
Requires-Dist: deepsmiles; extra == "reprs"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: coverage; extra == "tests"
Provides-Extra: docs
Provides-Extra: eval
Provides-Extra: experiments
Provides-Extra: reprs
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 7375 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
.DS_Store sha256=iEWZ_1cR-QgvYcJ_Guf6X5V7obvqGxkMuicXY2sNfqE 6148
gptchem/__init__.py sha256=hfKdPr0Csu-Fmg9l6tafspUXZtdqXHAzt8OIAVicu-A 123
gptchem/cli.py sha256=xwL-wvGfbOagF6dQCfC9Vp4IntaXdxeuHwB9lxA8ofM 159
gptchem/data.py sha256=cG7xp4FX8WFUhZUE6wOVQREb5m_8UsQYDfbiI-xTxh4 9109
gptchem/evaluator.py sha256=Mcnf85YD_bktWO0pLWKn5s-cvbZtVOntFp_qe827Yq4 33452
gptchem/extractor.py sha256=amDr2Q3NTm2Gaju3vnrBcVqU3S1D-27-nTSe8t1qQEY 3210
gptchem/formatter.py sha256=HrplyQ0DODHO3C9brzV_kPn92vfbnZlssZmG2JJSsSE 50095
gptchem/generator.py sha256=_sT9dOleJdU7XYb6-454-I1c5za-AaUTuro9CmzzwFY 178
gptchem/gpt_classifier.py sha256=RoGaCvtSgeheYbwS-HJ5tPqRpM-T0U62w6DbglsrtF0 13531
gptchem/gpt_regressor.py sha256=IILafyXaghFV7HkwplpU20t3wjSZwFijB5zfhKorDSc 7842
gptchem/kevin.mplstyle sha256=XQc_LrE_gcXGihjKuH4ln_ag9HTopVJeVIruH37B_j8 1639
gptchem/plotsettings.py sha256=4PPM9TwKqulaIeommvYsKjxhLIBlVUkQJkpZv4PGrf4 158
gptchem/plotutils.py sha256=uE_dAbSk_WMngQeRtID4ydDuc15UUGF7egkcjQTbjas 3046
gptchem/py.typed sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs 1
gptchem/querier.py sha256=FIhEh40romMGPjKGmI-ICjHvsGYmAx0bnxv5gGkMkwE 3947
gptchem/representation.py sha256=3dM_RYR-JCSZli368OHvJCD9x4kkX86tXSUDHdoeW00 4181
gptchem/settings.py sha256=7MtMVjSfcwa4dbKy7CRn7TH2XzOXfcBugbeKGX3Et-U 457
gptchem/tuner.py sha256=2CVJgP3fNU2EITAfDoWoYTRGxDlNJq7Gn-DO5X7PAeQ 7873
gptchem/types.py sha256=_smVi5CX9X01iY53VJOkN0-cd2ekyNOqL9Ahrkh9mIo 182
gptchem/utils.py sha256=Crtf-WBrv-7sCH2klkfxgd71g5_OVAR6pdMa39TG2S8 1342
gptchem/version.py sha256=z4adn-00dSuyoH8s-AGosEYbe5REuHdpRUYI1UxAwNw 1004
gptchem/baselines/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
gptchem/baselines/balasz.py sha256=C0wZzJXM3_jl2ZpxR42reyUDyYHCWru9vXZSvL9hxhE 3555
gptchem/baselines/bandgap.py sha256=BkTgEl-UOZzLkJcG2EC0OKZfqH0otZ7b6GQqG9zDVy8 3228
gptchem/baselines/cv.py sha256=5gSr_gTRVYkuMyiHjhKrjTL_n6iJbmW7Z1ReG9Pvc8Y 4695
gptchem/baselines/esol.py sha256=WGa03u8f5vfCUMexCUjVVhuDY_rrilPmrrwQ2Amzzwg 2453
gptchem/baselines/freesolv.py sha256=NbqK3gq2Uq6vFOOC3I8XFik0fU3zQtGzxtbzfpF_8fc 3230
gptchem/baselines/henry.py sha256=AJ-zisK7yYbCxzNNF8Ymr1-PaHpc8D5KosiXIDtFYm8 9947
gptchem/baselines/lipophilicity.py sha256=SEiQlUOpMEu879nOZ8Bn-PPl5c2d-ixrV4Cnw4XgAi4 2308
gptchem/baselines/opv.py sha256=WRPJRrkaVckILOoPgoHHClqwweNQByA5E2crb9SOOdE 4340
gptchem/baselines/photoswitch.py sha256=bYbw6Fs_b4iP0OXIM9TmT_E5Qqe0bC6RlWKDU-AbjF0 2306
gptchem/baselines/polymer.py sha256=MmhYPt7wu2CUJ2tfuJr3x82muE9bVhpMh-wzUSv5HL0 2766
gptchem/baselines/randomforest.py sha256=3TrrQM_-WpfoKu--qLaCu7YwtW8sffCmITD92sxZUoE 3043
gptchem/baselines/rxn.py sha256=bKTNNPbFaE-S0VRdGdFK9WPXwL-UBRPCOUtkVydPCQE 2945
gptchem/baselines/solubility.py sha256=4DFzml-F6du_mtpE1eotyCmSOrZDdZRnQ0XWrW6rLrI 7177
gptchem/baselines/water_stability.py sha256=aPml8HfnDeUeSzYv2MMfk4UPwzgxNRR9d0I6BcpV6hs 2916
gptchem/fingerprints/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
gptchem/fingerprints/mol_fingerprints.py sha256=y9EEMFvKzZmqatHDkTN96PYg56LPgg2cxzOo0BuokNo 1216
gptchem/fingerprints/polymer.py sha256=vOZoU1CdpWGXCLkXKs4u8RL4u9UyTEu70vXLfdhC8qw 7200
gptchem/models/__init__.py sha256=NSr36HY12gvapLmQ6BqWxfcxnffpfWvZSK6Vno_o_TI 873
gptchem/models/base.py sha256=TUDCaDX-yLzSvjgS-H5Qt4d4NMmaERrrNdGoWOwI3Xg 313
gptchem/models/gpr.py sha256=EEn3ozJPxMOhd6I_8TcSuWxqIC5F49Law9Z4compG2c 3396
gptchem/models/xgboost.py sha256=SadXl7hcy2IkoXBmcOFQc8hkSJKjWRuF4IF7KOqjuU0 7212
gptchem-0.0.5.dist-info/LICENSE sha256=5-rGFVL7tDbIckDofmoH51dMtXCJPvloO6q_kaYHvgQ 1074
gptchem-0.0.5.dist-info/METADATA sha256=n7PjphquoG5WgVQalFUVaa1VAxFRKhm-C9QDgSR70Cg 9831
gptchem-0.0.5.dist-info/WHEEL sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA 92
gptchem-0.0.5.dist-info/top_level.txt sha256=oG3H3O3NMLpqRPqmGru2y0InKlI6diA7cUxOWTezQSs 8
gptchem-0.0.5.dist-info/RECORD

top_level.txt

gptchem