Path |
Digest |
Size |
fluoriclogppka/__init__.py |
sha256=TQtGxLcXj1PPX1ZSJeHYw77LXkj2WHCsnaIVG2iFsZQ
|
281 |
fluoriclogppka/data/pKa_Prediction_Starting_data_2024.01.25.csv |
sha256=zsNmLNzxWKW19_YIoRsMs5DEIgdZXsnLhsX0VflHQrg
|
31365 |
fluoriclogppka/ml_part/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
fluoriclogppka/ml_part/constants.py |
sha256=wm016B1_q43i2NotXt8Vcjdzaw0QmRn7eFCpBoPo-FM
|
4341 |
fluoriclogppka/ml_part/exceptions.py |
sha256=bOyRzP5uGAKQSxgU5d7F8y721gkCsUWIyP8-Og2ifkQ
|
1391 |
fluoriclogppka/ml_part/data_preparation/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
fluoriclogppka/ml_part/data_preparation/smiles_to_features.py |
sha256=jexQNqfFcQQLYh3PiSdw_I5l1q5UL42tT8-puhs1tjc
|
4705 |
fluoriclogppka/ml_part/inference/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
fluoriclogppka/ml_part/inference/inference.py |
sha256=sa3XP8sjjIDtA5ESHo3SpHtRRvYzbrnoh-ylw8HsG_c
|
3904 |
fluoriclogppka/ml_part/models_weights/h2o_models/logP/all_molecules(without_angle_feature)_without_outliers/StackedEnsemble_BestOfFamily_3_AutoML_2_20240208_214951 |
sha256=7oVkWwE5Yr77Bp-aQTt8ZF-3bYO1w_E2jQzEosv-z-E
|
18512739 |
fluoriclogppka/ml_part/models_weights/h2o_models/logP/all_molecules(without_angle_feature)_without_outliers/StackedEnsemble_BestOfFamily_5_AutoML_1_20240208_212954 |
sha256=bJvB-F6le0Q_8iTFM7QHr-RTmcDwYcfI4MvZIqi9TJM
|
15154680 |
fluoriclogppka/ml_part/models_weights/h2o_models/pKa/acid_molecules(without_angle_feature)_without_outliers/DeepLearning_grid_2_AutoML_4_20240213_102321_model_43 |
sha256=c2C79VUOo4Pwtfg1SklpM814KvR_fMia7h3-RP2cNZE
|
1745159 |
fluoriclogppka/ml_part/models_weights/h2o_models/pKa/amine_molecules(without_angle_feature)_without_outliers/StackedEnsemble_BestOfFamily_5_AutoML_3_20240213_92029 |
sha256=y5V8DRsB8Db-xix6_kxwkEgA_x25C3WOb1AKhXx7YOA
|
18114821 |
fluoriclogppka/ml_part/services/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
fluoriclogppka/ml_part/services/features.py |
sha256=6ejl7t0TuH9kA6RhS3usKM49STy1UwwwSryjIoY4m7I
|
47437 |
fluoriclogppka/ml_part/services/h2o_service.py |
sha256=jIvKZCREXLqT6xut-R98GB3nmagzUMf6J6quhkhaxxA
|
2698 |
fluoriclogppka/ml_part/services/molecule_2d_features_service.py |
sha256=Grj5f8asQJIMjBHjaKuXJx8Vq05mwopestnhosHw7Fo
|
3810 |
fluoriclogppka/ml_part/services/molecule_3d_features_service.py |
sha256=yRuv7yqTieo431X5oqekiZub1AD0WREcMk0BE2ZNcso
|
43799 |
fluoriclogppka/ml_part/services/mordred_features_service.py |
sha256=53TG2MkYrHQ9VM-1zSx71zwxrbeonvJd6cJ_ObwpsgY
|
2391 |
fluoriclogppka/ml_part/services/utils.py |
sha256=bcHWFKf__qwB2WyaK7X3i0fR4yPcsz6JCtRjBgpxae4
|
6057 |
fluoriclogppka/ml_part/services/utils_logP.py |
sha256=lOxzJOLMsK9BgGrb3ZcsercQxFYwWXe2IAZb-ruDH0c
|
5960 |
fluoriclogppka/ml_part/services/utils_pKa.py |
sha256=RzxKeKFLGX4wiOi3Xe0vDUVh3PJzDSzykH9vfXlbQHY
|
3022 |
fluoriclogppka-0.1.2.dist-info/LICENSE.txt |
sha256=0FexR4H3aaBa397pUU2ywlb-gku8cHWtuTFG-iBVaj8
|
1079 |
fluoriclogppka-0.1.2.dist-info/METADATA |
sha256=ZAS_GFIUJ-kL25w8ifAz2IS36LoL39tqtCgJbmtcjfI
|
1221 |
fluoriclogppka-0.1.2.dist-info/WHEEL |
sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM
|
92 |
fluoriclogppka-0.1.2.dist-info/top_level.txt |
sha256=MATgr7aeFAZn9OYPxtt-Ldj89nw1b1xe9PxZuHDDlUs
|
15 |
fluoriclogppka-0.1.2.dist-info/RECORD |
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