cypstrate/__init__.py,sha256=-HGCIQg9Lpysp1Eeas41ESRkPdU2P6afrPD2aPY8dPQ,54
cypstrate/__main__.py,sha256=BMof8YB2qdgEACUd6G5Adf_HF9b-B_Zu_GheuDxF-Gc,131
cypstrate/cypstrate_model.py,sha256=0r_iEduhBtLIY1GZcb5A22KZLSmHXSa4vtCbLh51XA8,8697
cypstrate/version.py,sha256=5rFNhp0aih-zwyGpiYQ0s6k3X-_z8LUexOxSWP9my1A,108
cypstrate/data/logo.png,sha256=4lrF7dRX17h1bKrhXtSWKdXTr8waCFy9Hdm3-4ANLPs,366992
cypstrate/data/logo_hamburg.gif,sha256=R8aE_J-ZNn1oaVVOLCEd-2fyLoLW5_hDo7-JdI4ydGA,71962
cypstrate/data/logo_vienna.gif,sha256=KPOYHlf47R0vDSIvMtPXZ_dfITA6W6RBUSXVgbuS9tA,28953
cypstrate/data/nerdd.yml,sha256=MXOHtVh4GbNQ7YZziUlJDdKsy0hmlMxmk_F9bWpHObY,15357
cypstrate/maccs_fps/maccs_fps_trainset_1A2.npy,sha256=ZhJ7OKsIsM1hcndAKvkVbOhbk28JN2EI5Fi-Jxc0hXo,1831440
cypstrate/maccs_fps/maccs_fps_trainset_2A6.npy,sha256=LfjtSN_CQj9Daf3kqUuTFv3dEyiyzzStXcHahMDr-D0,1820816
cypstrate/maccs_fps/maccs_fps_trainset_2B6.npy,sha256=EK_DhVX7MiYo_58qZGxPbB371-gruigBp298hQspmN4,1816832
cypstrate/maccs_fps/maccs_fps_trainset_2C19.npy,sha256=HfDDEEZJrARqt1_F2g7cPMpgakmtEt-51wia5ms8p00,1830112
cypstrate/maccs_fps/maccs_fps_trainset_2C8.npy,sha256=m13fEWsjWg8xMGyTxEwKlPKIFV41WXoecrgx8tq4pgM,1820816
cypstrate/maccs_fps/maccs_fps_trainset_2C9.npy,sha256=38afk9QvPvHSijR166hcgtA23i8X3Jt_oTN-eQv3W6Q,1828784
cypstrate/maccs_fps/maccs_fps_trainset_2D6.npy,sha256=GE2PhzGhfmlrEnvzabVcI5YiGmD6NCcHZSj4ozzgQQQ,1836752
cypstrate/maccs_fps/maccs_fps_trainset_2E1.npy,sha256=siKHa25MajohGm6d_c7s37r7CxcPXLmLtI0Spa6_mLI,1818160
cypstrate/maccs_fps/maccs_fps_trainset_3A4.npy,sha256=F_D42aUJ_3MRd6KucQrbKzHJigLZgq0HctFArhUyUIc,1868624
cypstrate/models/__init__.py,sha256=esBnwtZv0ZMQGnqlNDQxW0JrM3_JIqedjWg_BXB_jlA,68
cypstrate/models/convert.py,sha256=oG9a-W04J36x57t5o0xBBysiAkRoE4t20Wdxflyv6Pw,2543
cypstrate/models/cyp_consensus_clf.py,sha256=cfNcWk5tEsh1FqT5LtmRdr6jZu1lL08-uwhomRhqjJQ,3900
cypstrate/models/cyp_nonbinary_scaler.py,sha256=mfqmcKY_CINkE4ZbVKe3fZ1ZL2jSzSluzYnpo6h7p98,1024
cypstrate/models/model_300dim_mol2vec.pkl,sha256=YpNLTsJFcWwel8qVSDQ04LZr_i78SZ9RI-F-brDCMx8,76786055
cypstrate/models/rdkit_descriptors_used.txt,sha256=7SWQWOKvpt353Mi8zApsw7zHO_N_N771VKMlhxtqdNQ,2363
cypstrate/models/__pycache__/__init__.cpython-38.pyc,sha256=2fj9tf3DVQnSPDs7r3JQrc-waAnIOtW0tEddLfWiX6c,217
cypstrate/models/__pycache__/cyp_consensus_clf.cpython-38.pyc,sha256=tgODkwyBMK_rMgX0Tc6pVbM69zmcZM5hOhe7JXphXmM,3522
cypstrate/models/__pycache__/cyp_nonbinary_scaler.cpython-38.pyc,sha256=77vhZh1zLbENLI7C-Wuh-nIxkUv6uGp0_fS2opXNvNs,1467
cypstrate/models/best_performance/model_1A2_hard4_RF(rdkit)_RF(morg2)_RF(maccs)_RF(mol2vec).joblib,sha256=qV9zzFcSxSfDswq5C3Cngy6_fxCZtHnpx37bohuVCa8,21557229
cypstrate/models/best_performance/model_2A6_hard3_RF(rdkit)_RF(maccs)_RF(mol2vec).joblib,sha256=u4j3J_Hc4HcUV6-ewUJMzMKoyjRyuPxobs_WbuxFmmA,5863645
cypstrate/models/best_performance/model_2B6_hard4_RF(rdkit)_RF(morg2)_RF(maccs)_RF(mol2vec).joblib,sha256=2pycb0k4dhSrlTs1K1XSS9_s0e9Sf5X6lVmv9WQPn5M,10651085
cypstrate/models/best_performance/model_2C19_hard4_RF(rdkit)_SVM(morg2)_RF(maccs)_RF(mol2vec).joblib,sha256=nBnyK9WwRHUfhZgXgNOfn2ivJVP9W07HwPnxyewdO0M,21780317
cypstrate/models/best_performance/model_2C8_hard2_RF(morg2)_RF(maccs).joblib,sha256=1BtrAbOcKXNpB6l57WHxMDumvbbAuHmNDMba38uepsI,7050797
cypstrate/models/best_performance/model_2C9_hard4_RF(rdkit)_SVM(morg2)_RF(maccs)_RF(mol2vec).joblib,sha256=OtYVMgmGDoDNY5md9zWwjEJn3apVN9_IAtPTNuZWheo,23220029
cypstrate/models/best_performance/model_2D6_hard4_RF(rdkit)_RF(morg2)_SVM(maccs)_RF(mol2vec).joblib,sha256=rdUFnL3UbJTvXSk9H49q--c9AH0ZqLh857oSj_SbylU,20839021
cypstrate/models/best_performance/model_2E1_hard3_RF(rdkit)_RF(maccs)_SVM(mol2vec).joblib,sha256=sqtdOm0Xq0My9q3bWuvWQOydp65GPBiqi19FhvCpXXw,8804221
cypstrate/models/best_performance/model_3A4_hard4_RF(rdkit)_SVM(morg2)_RF(maccs)_SVM(mol2vec).joblib,sha256=_0YpN0lRmenYuvPwlqW3Hso_KLkaSfxSu0GBXxaIE_M,22228221
cypstrate/models/full_coverage/model_1A2_RF_morg2.joblib,sha256=RSkRs5DZ7uU0BTBuKvrWZNRpn9A8MbLb6vtvZG3ff8Y,7930327
cypstrate/models/full_coverage/model_2A6_RF_rdkit.joblib,sha256=iGiQEMoRq1cft49T-jCH0rgcodzIx1Z-z_IV5BaK88g,1559367
cypstrate/models/full_coverage/model_2B6_RF_morg2.joblib,sha256=BVjYjSSO20Of331qMa7h-H67nMdZTDlzDFhLEV6wpEM,5249351
cypstrate/models/full_coverage/model_2C19_RF_maccs.joblib,sha256=k8AOM6F1_GCJxCU83JxH9MEGrfC3RzKQJPa_fNbNSB8,5111095
cypstrate/models/full_coverage/model_2C8_RF_maccs.joblib,sha256=IoppwVx-45wU9B6abnmGSdapzdHCMfKUoWWO_m9Fi1Q,4663943
cypstrate/models/full_coverage/model_2C9_SVM_mol2vec.joblib,sha256=xaiFR-s9254vUk4I1_o0EerD6l2wQdiMNJIJ33Jsrxc,989158
cypstrate/models/full_coverage/model_2D6_SVM_rdkit.joblib,sha256=E2HCnVFsh4RdmjDa-IbRJhRrAxx5KUvEcdqir3hA_NQ,340486
cypstrate/models/full_coverage/model_2E1_SVM_morg2.joblib,sha256=9QTYctjBpINjN_xr2EqAawE2BRzGW4FUvaYV-0_qkfs,3838014
cypstrate/models/full_coverage/model_3A4_SVM_rdkit.joblib,sha256=J0E2QQN8ilI4x3KV47eZAqHZQEYHEA_LFEXLf1e5JUU,746542
cypstrate/preprocessing/__init__.py,sha256=0yRQIaj0h1nQYodRTG6iwkr3VV_7eHuViGNi4gy4fsI,183
cypstrate/preprocessing/canonicalize_tautomer.py,sha256=7rtm1EgK-k4RMNZBESAO_oAMrg9izC0Qbqaq-NeIes0,1620
cypstrate/preprocessing/cypstrate_preprocessing_pipeline.py,sha256=5rXmK7JQQ506M9F85sjmeXqelynyFCPrFjZb54BMhb8,1548
cypstrate/preprocessing/do_smiles_roundtrip.py,sha256=0tAWlmI_BT8fWRjl9pLlywYNf28lDPlvA4J7GHHR3NU,621
tests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
tests/conftest.py,sha256=DA8aCJNszF8m9l4zz7H5wqIV1xouN1MZErDgwX8Pg8M,259
tests/test_consistent_predictions.py,sha256=i4BZ1Wly8vZYy2ZqMTwT7IgpcfkM1AZe1gEUk2Tw9pc,372
tests/test_valid_predictions.py,sha256=2Xyg-uXxR5t73ZbeADxs-74ksiCT8uHjgkf3gdVHVt4,1999
tests/steps/__init__.py,sha256=tedIn7M5gQaYU2i2cxtZCqEXpNlcsMvy3vEiDgd8qBw,70
tests/steps/checks.py,sha256=m4t9SFZZnj5AjLhJhbKo-HlQMnFKh24aDNIfP36bed8,1747
tests/steps/model.py,sha256=X34r5Ph8_6xeO6xHMgC1Ihd4foBheOC362D6sIGeb0U,492
tests/steps/predictions.py,sha256=MzdQrepSzVIMRmqKnnvS9E3DYmcWAYdxHaox_ID60Wc,706
cypstrate-0.1.5.dist-info/LICENSE,sha256=DfTNa9K9cmrLbp7aad8-yzB7Q51p4pZn_awchT-Xt3I,1085
cypstrate-0.1.5.dist-info/METADATA,sha256=Rg8E55uHvISM6tLR_uIT8LK4qNl_WvO1g5vErkObElQ,3898
cypstrate-0.1.5.dist-info/WHEEL,sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM,92
cypstrate-0.1.5.dist-info/entry_points.txt,sha256=aI2ONiTltWt4n1IlF6yoP7h_9cPceVoaF6X1H6OUsiU,54
cypstrate-0.1.5.dist-info/top_level.txt,sha256=PtSkPsgK2Geu8FTPd4Q19bRQ13K7zkkIJ7Q2-sTRg6E,16
cypstrate-0.1.5.dist-info/RECORD,,
