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 |
— |
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