kgcnn/__init__.py,sha256=huP4bRgcL46cWBVQOekWYzFGjiDiwIoErsf_CwEkwLA,43
kgcnn/crystal/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/crystal/base.py,sha256=sy-ltWvk8FHr2qhLkszE4t8X0X97YS3dG65CXxyJxb8,2930
kgcnn/crystal/graph_builder.py,sha256=rA-AJ0Df6GbJ6IIW1N0QR8yi4bmxa9NQDbg8qC6NgIU,33947
kgcnn/crystal/preprocessor.py,sha256=CRtH4RWfExSD8RLMrblra53tG-Rer3Y1DCYURe5VPvE,21221
kgcnn/crystal/periodic_table/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/crystal/periodic_table/periodic_table.csv,sha256=54Ju5RTCfScv7rPWf3vsYZl2o1bkju4RBquC1OXPUaU,15016
kgcnn/crystal/periodic_table/periodic_table.py,sha256=fy19FvRYcLTrIaxA3d_Yt7hT6T-Nap5mU-tC2NFTOYc,4029
kgcnn/data/__init__.py,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
kgcnn/data/base.py,sha256=HylpwzE8QSCLCjkgUUNI7lVBM_B9Chh5hNBrs8TXctw,35033
kgcnn/data/crystal.py,sha256=esmgiuZZnYA2VHZlH_yYPFsrrrS4uvJsf_GScjfVMbY,12898
kgcnn/data/download.py,sha256=TQ7GN5R1QDvHufh9z8sMh2ezLzd-2knSvvHCrhWa8oI,12525
kgcnn/data/moleculenet.py,sha256=Sm8DpIfNlrL2997kXBa7A4UO-EzgJiAnriwE2Zw4yMU,22994
kgcnn/data/qm.py,sha256=kop6H62njPQY3BuiHksQhwj_Hpfi6mW_UFULQtIeDBQ,17817
kgcnn/data/serial.py,sha256=UsW2vImpaNepSUS4TW5fCUJ0ahET2yC-w0LsOg5rduA,2851
kgcnn/data/tudataset.py,sha256=LdWLi2jvNYkyombwr0eCGIv3GLKsDmwwa203s3LGuu8,9408
kgcnn/data/utils.py,sha256=pCzoOCO6JueW-AGEOn1Fpc7VbAlaEOEcCCrXKFi9gyk,5311
kgcnn/data/datasets/ClinToxDataset.py,sha256=5G4gtFlQfK5H2_ZVshsYA6-NC9iX1lInUfgx-dtzKvQ,3036
kgcnn/data/datasets/CoraDataset.py,sha256=057RQ9OPViVR0juXKXJwUOsvjWDFQf00IjElOk-JHs8,3186
kgcnn/data/datasets/CoraLuDataset.py,sha256=iZfJM5v4aj7bFAKJGUqcv7x8K8oypmDm1j8bnsruN-M,4761
kgcnn/data/datasets/ESOLDataset.py,sha256=IQb07NRWH3vai02-j_5eDW7V8xNwNiopv9GgQFR8EvY,1559
kgcnn/data/datasets/FreeSolvDataset.py,sha256=WTenF3yeGo5OxGn48n14zRbunAPEm4qw2UhcUbJp3bM,1727
kgcnn/data/datasets/GraphTUDataset2020.py,sha256=Y10S9_Mwsr_k1EvnN-srbUwbiEJT_Pewx5YkxjS8pjs,5398
kgcnn/data/datasets/ISO17Dataset.py,sha256=Ia4vmD8CfcepMATO49mcxUknxHmPBMmxx5xYLscsTZY,7113
kgcnn/data/datasets/LipopDataset.py,sha256=tL7TrAGdCs_UatJbdlI6vkGT0aROwl2OQqmsD2gxKMc,1471
kgcnn/data/datasets/MD17Dataset.py,sha256=ivxNq_IL5hgodOghPH9QnVPXeyiF1Oo6BhVEuFCrJhI,8792
kgcnn/data/datasets/MD17RevisedDataset.py,sha256=i3alL5xNdKppUvo4lH8bgO0Nlr-mVuxINNzhY2LYYV0,6574
kgcnn/data/datasets/MUTAGDataset.py,sha256=auMt48E9jwT6FZhmfDzeRy4zHPfnHmoWcA4GCMiXv0U,3158
kgcnn/data/datasets/MatBenchDataset2020.py,sha256=sR6JJDuIiZn1J8CaG1g0PkkdtpbDIeaYOPVlJjX1fsQ,11255
kgcnn/data/datasets/MatProjectDielectricDataset.py,sha256=iC7vobZCzS4_Tu7w0Mw-flW59WMYOT4tk6Z8G8_K514,1469
kgcnn/data/datasets/MatProjectEFormDataset.py,sha256=00xEz7woAjaCoWVqeza5YNIXT-e8Q1F0p2vXdStcq-k,1388
kgcnn/data/datasets/MatProjectGapDataset.py,sha256=RB6oLA7zCk_8AmYc93rbZ2alnEo8y2TN2nCplOAj31E,1398
kgcnn/data/datasets/MatProjectIsMetalDataset.py,sha256=JWWLLsY5KfID0jFTLgdRGn2r5Js1keFT6i1oHvt3rsI,1424
kgcnn/data/datasets/MatProjectJdft2dDataset.py,sha256=RZXrtAUqpwhSw1kZzxC4AcIadAwnMU1jjXLrk9LRPwA,1325
kgcnn/data/datasets/MatProjectLogGVRHDataset.py,sha256=CYC71LezqTlI3voxPOuHZKbis1LkWGtyQSBWAXRVaeQ,1605
kgcnn/data/datasets/MatProjectLogKVRHDataset.py,sha256=wvALgiVO6RLm8Px1pA_tVwH_8v15uEEgr-aVTnQLgGs,1604
kgcnn/data/datasets/MatProjectPerovskitesDataset.py,sha256=noYPZy3qqg_uA3iHyigqG9bIdaUjOTQbZnYBQuIpxgk,1316
kgcnn/data/datasets/MatProjectPhononsDataset.py,sha256=0yQemvzkEy_vXMNHafs7bNy6VIZgCGF9MHaTXXD9dFk,1693
kgcnn/data/datasets/MoleculeNetDataset2018.py,sha256=ZR5EiDczxoIphGSjKliVsYOvL_WNgKG0XQFG5QfPfOw,8589
kgcnn/data/datasets/MutagenicityDataset.py,sha256=U7a7qc1zQGeZbEdEs0NL0FQa592IKZLqx7XBogIyEVk,4834
kgcnn/data/datasets/PROTEINSDataset.py,sha256=JD__XdpJO0b3VX8kWkJnfSH4flfYaFI8RwQMRfIx_KA,3051
kgcnn/data/datasets/QM7Dataset.py,sha256=_gXz1zEPnZBINGFvSuh5mhRV9KNLvu-3qaOVImSMER0,6575
kgcnn/data/datasets/QM7bDataset.py,sha256=funbl_ehSz2DfciZtEY0thsmaEi8LCR-wQPlv2K7t1s,5533
kgcnn/data/datasets/QM8Dataset.py,sha256=mwiR9n4TGRel7Ipu91rgsyooGFrQ6KyQZC-wIbTnhaQ,3922
kgcnn/data/datasets/QM9Dataset.py,sha256=DTAjsRI2YCmPbGcjLNLyXuoEUxO5Vv0Rvy_4HIU0PBs,12272
kgcnn/data/datasets/QM9MolNetDataset.py,sha256=LDbqMbTdaogb94tgrUZlqSADK0Ft1AFCteGtvrIsNEI,2952
kgcnn/data/datasets/SIDERDataset.py,sha256=hmkswKHzPxhn54FwvSmvq0qhsvz4DfNgutbNIXxulyo,2160
kgcnn/data/datasets/Tox21MolNetDataset.py,sha256=AKQJUFPqoFFhfCa9Kf3G3HsBToZRrh2wbwToPxxQp2o,2194
kgcnn/data/datasets/__init__.py,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
kgcnn/data/transform/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/data/transform/base.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/data/transform/scaler/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/data/transform/scaler/force.py,sha256=fmJ0SJjzEzRoGaPNcVzdKovhflszJi2HoiJo5PMRcQE,19619
kgcnn/data/transform/scaler/molecule.py,sha256=hYS0X_dEdWG7eTXwbRhcXVQajOfwJJsWqfpFLNl6jnA,53863
kgcnn/data/transform/scaler/serial.py,sha256=kWjvlNN26CYHVmY2ypXcGxEnr54GTBRNXOk58KdCD6E,1865
kgcnn/data/transform/scaler/standard.py,sha256=NZFO4o1hWTPic9rQcrKJYVjlr4RmNunKcJQyC-hvphg,28239
kgcnn/graph/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/graph/base.py,sha256=DUOfHmsGWBtlgCWL_wrAdsYBnULf30Vh7u6UQB1EYew,26883
kgcnn/graph/postprocessor.py,sha256=LhbD33zHAXojsL7_0HAcMewmcN9nB9clSMOcHt1bxiw,1864
kgcnn/graph/preprocessor.py,sha256=MpH_qKkB5Y9I1QV2Kpsm_76Oc08HAPUWxGaHtgVd_J0,31335
kgcnn/graph/serial.py,sha256=vUbsBhDcgmRHD2T9xDpLYo3a3jrIOMH1s5uFTiErK60,2468
kgcnn/graph/methods/__init__.py,sha256=TK3x2pYATI4Y9dM4-yJyyD0S7Q1l4Z8c_UKbw8rPQV4,1365
kgcnn/graph/methods/_adj.py,sha256=ushCdT2iL1EayWJvFzTuiaKBaxVNipsxDNL15NO98FQ,28421
kgcnn/graph/methods/_geom.py,sha256=RwZbxFuC7t6soe0U1AOWD8JpXc3C4f_RPPEAZ0MzUqg,11983
kgcnn/graph/methods/_periodic.py,sha256=4hUyU7V0RWUUzIX9Z5ftYuobaAiL--_FzLq5GeoFxh8,21305
kgcnn/io/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/io/file.py,sha256=NYoC9tD3iR4-OTZopj4ELVnMuLykmk-JEn3ZpNKubpI,10423
kgcnn/io/graphlist.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/io/loader.py,sha256=aD21nxHoDgMxRMobiQwrR-ICC_AuvxguJNhLXAOL8oc,4556
kgcnn/layers/README.md,sha256=MZ6Hf9TLhHn9oNhF81cfwNEMkp2tIu-XyVQ_vqIa1vo,1181
kgcnn/layers/__init__.py,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
kgcnn/layers/activ.py,sha256=R9uHSHen3Pdy_thmb9U9pwC5eeAKtn2FDgD2CVW7wgM,4152
kgcnn/layers/aggr.py,sha256=t95pV5468AwAY94y1Jcnd2_kyDWBn0XpUYwHfDXKsls,35560
kgcnn/layers/attention.py,sha256=Y58ErcM3j2hDAup0jlkvpcFZxXx2qHNT6660vQDQo9E,15460
kgcnn/layers/base.py,sha256=r0-bj85lNj_0uNhcZKslJFK0wUDKnDv54cytpX5nmmI,7693
kgcnn/layers/casting.py,sha256=e8G1h2rrOTwEnK2xhMDLGJ4w_mTU87mPbK13MjEeS0I,12507
kgcnn/layers/conv.py,sha256=9uTNZX8Xl_Y7hJ2pw804VWLpIsKRCaSbpvB7JFzOwbA,15136
kgcnn/layers/gather.py,sha256=029jG8jdTjqfRrb1LFPyQhRApz2TMWWYqcOMtndXK84,16510
kgcnn/layers/geom.py,sha256=prxUtNyBJg9xbfcf84O-fwzO53NuPqsZWGJVEALFe2Q,44934
kgcnn/layers/message.py,sha256=627AKo9mKMvCRNmAQlenGaZ29_1slgQlrxERak5_evM,4735
kgcnn/layers/mlp.py,sha256=JdeQ6jMz0vA08JGc8acexIizG9hC8Yn7nqyLe0lKTEU,18206
kgcnn/layers/modules.py,sha256=pRxBgarWJy0DWqtOoZyZMMJgx-TU7hrSFo4hoPq894M,23477
kgcnn/layers/norm.py,sha256=y7LGcPhJhtw_ZdW_P0Df5eVm_qFAzBQpKE1iyv5Zas4,28771
kgcnn/layers/pooling.py,sha256=ARGTEMgnvUmtSM44ZaELkNw-kRyW7Np0UXpEwYLOUts,35808
kgcnn/layers/relational.py,sha256=lb4ienpl8cA4Jpi6M6pP5djpAChj6OZgIYASQuOe1P4,11853
kgcnn/layers/set2set.py,sha256=xHjXFA632hTAt4C-vI9W5Yv1Y2MhXrKT0moTkg2skqs,13549
kgcnn/layers/update.py,sha256=9YM1NM4TchyvDoFU_5tcP52cs-_ZIT7qGSlIWUwlExY,8702
kgcnn/literature/__init__.py,sha256=APeZ77Chxux3TSufC6HsObIiZnHdzajtGMUc5ybteS8,51
kgcnn/literature/AttentiveFP/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/AttentiveFP/_attentivefp_conv.py,sha256=BMh1CTSqlkE8XK-ZuiYXxJGk-utSVOFpaolS4yygavw,12186
kgcnn/literature/AttentiveFP/_make.py,sha256=jHhy7NtGVBM0WmrBAtwUDbebb8EbrksC8bQsCicTco4,5902
kgcnn/literature/CGCNN/__init__.py,sha256=ZV8PUW7BuxiFFM7fxH8JQn18de9B3clwehWvtl5sXOc,130
kgcnn/literature/CGCNN/_cgcnn_conv.py,sha256=Jdq6LjiBY6nmhSLDvqf1CBwkdKdI0LkeT7-tNM2HVoc,6471
kgcnn/literature/CGCNN/_make.py,sha256=9GexZa9kbZkSwK5VpCOGTI8jSWkdk5o4MCOjKYAR7js,9358
kgcnn/literature/CMPNN/__init__.py,sha256=N3ILNCKldnuss2DsSk8jl_AQoYJwUZhrOMioT-afP2M,98
kgcnn/literature/CMPNN/_make.py,sha256=-IPjSwfysHHQU-zCXmif3--0gJvHwyllN_H63ucHKUM,8126
kgcnn/literature/DGIN/__init__.py,sha256=LMOz3YF-Ana5cndzVNkCIOEFlDB0NXO5LgKawu2xulE,100
kgcnn/literature/DGIN/_dgin_conv.py,sha256=LIEXE5ZlSUv8QxsNj_gb4iGIHdQdzjSpQ5fTrsVjdgs,4927
kgcnn/literature/DGIN/_make.py,sha256=XSI_fU3RqyArXT8UBkQzlU6sfM8uf_5oC90FIcdfThM,10250
kgcnn/literature/DMPNN/__init__.py,sha256=N3ILNCKldnuss2DsSk8jl_AQoYJwUZhrOMioT-afP2M,98
kgcnn/literature/DMPNN/_dmpnn_conv.py,sha256=_actlh2AHlJgiBqGsp76J0SxE6EazT1uJP3KuU8kD2Y,2117
kgcnn/literature/DMPNN/_make.py,sha256=IIEC0Zb1v9crzpGOf48VYABMOCSv1Sqd7MLKb_Lu8Bo,8366
kgcnn/literature/DimeNetPP/__init__.py,sha256=XI-RQMEi4OMPlsSU7Rt9CatQ-KuMTwbGluAElp_Wp7c,215
kgcnn/literature/DimeNetPP/_dimenet_conv.py,sha256=fzR7GVbE42PYWkRnJEfBJKMm0jVFivLbyzpOR6YfyHM,19372
kgcnn/literature/DimeNetPP/_make.py,sha256=XZe4EOKd2GOM0scw76-H3lEjmaeie3nPpV67Pd3fqfc,18270
kgcnn/literature/EGNN/__init__.py,sha256=N3ILNCKldnuss2DsSk8jl_AQoYJwUZhrOMioT-afP2M,98
kgcnn/literature/EGNN/_make.py,sha256=Dlcf5fxdir0a20aZdAsx9Nq7JNM-_nYrszzPSBIDOMg,10063
kgcnn/literature/GAT/__init__.py,sha256=N3ILNCKldnuss2DsSk8jl_AQoYJwUZhrOMioT-afP2M,98
kgcnn/literature/GAT/_make.py,sha256=J-rzYbrwXkAW_3-_8cpNUpbr6hLXkDpKPIWQoFp5BWs,5925
kgcnn/literature/GATv2/__init__.py,sha256=N3ILNCKldnuss2DsSk8jl_AQoYJwUZhrOMioT-afP2M,98
kgcnn/literature/GATv2/_make.py,sha256=Q5HK-nqENWXDokouS8oEC0_SOpQHRclcGmqhKa4qqWc,6279
kgcnn/literature/GCN/__init__.py,sha256=ntgCrBF7swC7kVUU_6W6rPQaFL6gY3QIXgONYgRWlWA,218
kgcnn/literature/GCN/_gcn_conv.py,sha256=VNcvaXAxS5U_pUoFJn9oVLhzP8r42uDoN_wUVz7Bi4Y,1874
kgcnn/literature/GCN/_make.py,sha256=YUCkftlL7AgEjFHbNhIk3Q_r6pvGIpLk4FkcvUpPLos,10192
kgcnn/literature/GIN/__init__.py,sha256=h5vkSlNAJdjfEWyYkuQLiWezamq3MrW432brzHOH-cg,202
kgcnn/literature/GIN/_gin_conv.py,sha256=abwz7t2gLNcymcEdGsjTZVPzxbbNrwr2o_EgEGi8NnU,6634
kgcnn/literature/GIN/_make.py,sha256=2PBoAj8Snt4UYIRYSB7P92MOexxpCIiKBFnz7hyBDXY,10899
kgcnn/literature/GNNExplain/__init__.py,sha256=oTD4IkFMfkGnpXh4XkyCV3YNQZi4IyTl1wRxx9gXugM,187
kgcnn/literature/GNNExplain/_model.py,sha256=4fP4ZdsfRtbsFl1myPchehKx-8N36rE_w4ImhUZALpo,30109
kgcnn/literature/GNNExplain/_test_literature_gnnexplain.py,sha256=rSVSvlCrLQcTSHTIL51UNDHod8BeQIIq-rRmIXualuY,1262
kgcnn/literature/GNNExplain/_test_xai_base.py,sha256=H-CztdE9kFbOWHgFoP3NxqEvAZ9JTWB2zJ_GM44uOww,1134
kgcnn/literature/GNNExplain/_test_xai_testing.py,sha256=JgaPCiHrsVzyDtdcWipqQog7Vwk6XzSkb_wM3bMmY9E,933
kgcnn/literature/GNNExplain/_test_xai_utils.py,sha256=YxZbSekgaDE7nTDG2z_OeIgYviLxrw5sgFdmeaBicrg,565
kgcnn/literature/GNNExplain/_xai/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/literature/GNNExplain/_xai/_base.py,sha256=J4Xo1ugV5dEyXaFLbYk4Nn-5v8pqcr6H-t18us0nmzo,2456
kgcnn/literature/GNNExplain/_xai/_testing.py,sha256=dou9KnniEwkvmbDfuyZYSOb10imjgJ88luyK5XZjYUI,4459
kgcnn/literature/GNNExplain/_xai/_utils.py,sha256=qiU382d35wq7SnR3GUSaziWZeMC1zES7yDd7X1-nTl8,774
kgcnn/literature/GNNFilm/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/GNNFilm/_make.py,sha256=dJlCazGCs3wMke_Rc9oiwJvAJfiqf3pr7w2Y6aSoBWc,5606
kgcnn/literature/GemNet/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/literature/GraphSAGE/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/GraphSAGE/_make.py,sha256=rP_AzaZ5vRE9jQw8EP7CtZ5Deb2_AWwQ7ZqY0VwqJ6o,6836
kgcnn/literature/HDNNP2nd/__init__.py,sha256=GbWaMyDKDkaB7AgfBqUkjUX6cHeIht_DbdIrxmWZwuk,454
kgcnn/literature/HDNNP2nd/_acsf_conv.py,sha256=N-MgF4rEcftRcH0A0Iygn_19A1go3Tw5_TAy4EaLzec,25733
kgcnn/literature/HDNNP2nd/_make.py,sha256=faGV55SGkPJZP9lmZZUgBoo4l7UYy-MFHbRjzsDGZU4,15739
kgcnn/literature/HDNNP2nd/_wacsf_conv.py,sha256=pCdo3XJvf5f8sm5BDzuVEOS6-PW1t8jOazL-lc6EYLQ,21072
kgcnn/literature/HDNNP4th/__init__.py,sha256=9x8qmGI7HhPtzgY9AeorwkEfau8Gtw96h5jMbI1qpeY,127
kgcnn/literature/HDNNP4th/_hdnnp_conv.py,sha256=hgzYTEHV4a5Coll-wJYAMTW4FE0Yul29rkdxKxZmMcg,25834
kgcnn/literature/HDNNP4th/_make.py,sha256=vuuVfR9IN04saCP0cLZSZMEU_-h236uMhvyodk1nQXQ,8160
kgcnn/literature/HDNNP4th/_test_hdnnp.py,sha256=zLdRD_ZqbPrdSJ7RcRUTLulX3JY2q5IKDDR1aqx49lo,9442
kgcnn/literature/HamNet/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/HamNet/_hamnet_conv.py,sha256=FDhE7oZ5b-aFQBHkNIseste4gxlzSnRGg6P-LYGbeQg,28565
kgcnn/literature/HamNet/_make.py,sha256=NVu8SkNlmrd8DA6ONxvArnogF1qTDosvtKCfMUXJ928,8210
kgcnn/literature/INorp/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/INorp/_make.py,sha256=GROqn93ciQGY3Pi3LJq4GrwcYmQ8qwk5DG9diJDPZvk,7954
kgcnn/literature/MAT/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/MAT/_make.py,sha256=1R-kzamvXPBOpUE0rKVtHdm5odhxd6I4pe2a23hir6k,9724
kgcnn/literature/MAT/_mat_conv.py,sha256=kwnu_K5aARPncwd1lsgrjvClfgNq7z5vFz3Y-JFJlow,8758
kgcnn/literature/MEGAN/__init__.py,sha256=UamofMdHhf7g3rNrikM6Cn7EjEpR0nb8MjA5fyzTe8c,218
kgcnn/literature/MEGAN/_make.py,sha256=f92Busv4z2AcDw3bY0jDqqLolEbM2WSiR7xh2opJJn8,1068
kgcnn/literature/MEGAN/_model.py,sha256=Zt7lgJFF2yqPMV0D7rAuZGtI1kGQkaZ6rw61AWBIicc,22759
kgcnn/literature/MEGAN/_test_literature_megan.py,sha256=-PA-vGF0frW1Cm1_E8QLU3HbXvTbEgx56ALOZ8mwSKk,6903
kgcnn/literature/MXMNet/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/MXMNet/_make.py,sha256=D-a9o7mNyiz4zHlTJMsKWk7DtqkykKov8HgGNBa1kaY,10142
kgcnn/literature/MXMNet/_mxmnet_conv.py,sha256=NURY8t8H4Pg3Jm7N7LsAmGGrWgt_t2i2R627WwpngFg,8490
kgcnn/literature/Megnet/__init__.py,sha256=XI-RQMEi4OMPlsSU7Rt9CatQ-KuMTwbGluAElp_Wp7c,215
kgcnn/literature/Megnet/_make.py,sha256=shMbhB2xoJqjhma40Zs5Q0MzDZyaIMNXIoYApGPcaMM,18509
kgcnn/literature/Megnet/_megnet_conv.py,sha256=0cukpIy29F7BGklMZE1B1HdCIS2FQq9kuGwPpqONgEw,7153
kgcnn/literature/MoGAT/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/MoGAT/_make.py,sha256=nz88RagaXSsgqHxggWybPqjTc_ToFbg6SAJxhyPDrjU,6679
kgcnn/literature/MoGAT/_mogat_conv.py,sha256=4nOMM-V5uNS3Rv94H6esReWF5pVWBbMn2TwuSGB_2_0,12206
kgcnn/literature/NMPN/__init__.py,sha256=XI-RQMEi4OMPlsSU7Rt9CatQ-KuMTwbGluAElp_Wp7c,215
kgcnn/literature/NMPN/_make.py,sha256=dEGxMeH9Mts25FWN_SAKU8CZ66XN-ZYr0S36dmySz0M,17202
kgcnn/literature/NMPN/_mpnn_conv.py,sha256=MfsDHMuWIET4YbBC6oGhU9NBkhXhGt-UGKKND9VoHUU,4753
kgcnn/literature/PAiNN/__init__.py,sha256=XI-RQMEi4OMPlsSU7Rt9CatQ-KuMTwbGluAElp_Wp7c,215
kgcnn/literature/PAiNN/_make.py,sha256=7fXjnOT9w5AUDX6Ki1i4JlHbQbl_6OtaiWjBdkA6bq4,14386
kgcnn/literature/PAiNN/_painn_conv.py,sha256=il5AYfVvCbT8-Wkj13qhypN5pQYvWcOJZhPNH-yYIlI,15618
kgcnn/literature/RGCN/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/RGCN/_make.py,sha256=BoYBb3UsVMt4l1qJa9nuAxvZAGwNIFLWecNq4kSVW6k,5668
kgcnn/literature/Schnet/__init__.py,sha256=XI-RQMEi4OMPlsSU7Rt9CatQ-KuMTwbGluAElp_Wp7c,215
kgcnn/literature/Schnet/_make.py,sha256=ut0cuC_79EibZZcqbZ8I1HiBU_rPQm7y90wNc9ZTwFg,14260
kgcnn/literature/Schnet/_schnet_conv.py,sha256=wcMgs1bLgGW9U7usVM-u55oV9B7RJunxveOdyaDrokc,8445
kgcnn/literature/Unet/__init__.py,sha256=GisibDHR62wA7Zb5ai8OOxrpb4diG_4i8zgNaSyKLG8,99
kgcnn/literature/Unet/_make.py,sha256=pCMDiPfsEOycKyZPhh0HoaLroIjgmeMTG3ywxgZlyHw,7194
kgcnn/literature/Unet/_test_connect.py,sha256=nPJut6ejhU3UA5QBdgJiriRKZBlXDlw03r62PjU81Vk,1138
kgcnn/literature/Unet/_test_topk.py,sha256=0I1jN2n-fR9yuEdekICjsIuJL1Ca_pOlGjTARsfXgQc,4157
kgcnn/literature/Unet/_topk.py,sha256=GhKTmbJURDrjEPgdxccIM9wrxHgGJb61yUQBK28hAmo,19977
kgcnn/literature/coGN/__init__.py,sha256=Ra4xPn1x-RZ_W5WFvjiJnNktYGHLhtzbbysGp2yk210,2873
kgcnn/literature/coGN/_coGN_config.py,sha256=5uIt3HHgQ9iKB45IuGazDPf0pgcy6Ee_fcvpTXFdTAw,7496
kgcnn/literature/coGN/_coNGN_config.py,sha256=jHS2rpLzRv6uzYSFDuwNWcukqkXHxcrj-jHUJGu7ZDA,6429
kgcnn/literature/coGN/_gates.py,sha256=nfRIADhTcUYEdZbEXm7xUHeSOHy0n3t9q4yEFvDvLmE,891
kgcnn/literature/coGN/_make.py,sha256=KL80541tdX4oXhw6MsLf-vL5ScaxyVFaucIHQbOWCCc,27901
kgcnn/literature/coGN/_multiplicity_readout.py,sha256=13g8ecs0MbXFNGrgAZ-E-gwTf9v2PkyNKLj8vxDZloY,2266
kgcnn/literature/coGN/_preprocessing_layers.py,sha256=fKMPWLlRuU3eUKpyPRhWL7WMxMLf5fJPNiOfTVkwwT4,3945
kgcnn/literature/coGN/_test.py,sha256=_xeheKT5ZAtXDKIMQeOuOI7QLDuyX7aU3q8DgxAKCDo,1051
kgcnn/literature/coGN/_utils.py,sha256=6YEe6pp82b7i82Uhs9uY554FPCrfAZ8Nef6kBc0_FAk,372
kgcnn/literature/coGN/_embedding_layers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/literature/coGN/_embedding_layers/_atom_embedding.py,sha256=yy9eq1lfvTOI0GsSCueXXoD_XgP8pv1b6EgpuAToKaQ,4218
kgcnn/literature/coGN/_embedding_layers/_edge_embedding.py,sha256=b-SxCbPEgcUKPhSS7h_qpDUMbxjnzuT1TIjt1l5ivTY,6719
kgcnn/literature/coGN/_graph_network/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/literature/coGN/_graph_network/graph_network_base.py,sha256=tmZFl2aPouP13Qx4t6YvQqViE7p19KImA7nbgMId498,16183
kgcnn/literature/coGN/_graph_network/graph_networks.py,sha256=G0bTlbgOdYnDjiFNUuL3o3DfxHK-XLibLS67VoI9CYo,23941
kgcnn/literature/rGIN/__init__.py,sha256=2wSJJMIpjbSbeuuXec_QkR8ivLN3h1NW9CXmHhCauu8,99
kgcnn/literature/rGIN/_make.py,sha256=1gMkg7JpbdqZxSfX0FyITZ8_YVw4F8W81HAakE6jamY,5444
kgcnn/literature/rGIN/_rgin_conv.py,sha256=I3oM--YZkfwjDeetOQfVPeCAUhK5IH1kWga7oncDF0o,3502
kgcnn/metrics/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/metrics/loss.py,sha256=pX3l72Qabl46STr-B2-ED6tFlsrZLrUjD1ZC7XURP9o,972
kgcnn/metrics/metrics.py,sha256=EoyFRXcc69VMmvTGO3_6e90-iWCtPDxEHXwolcd-TFE,10804
kgcnn/model/README.md,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/model/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/model/force.py,sha256=FePPGsO3mbRd2U6YKklbdSjeNehj5ZdMgbCYbvmRbDg,10551
kgcnn/model/multi.py,sha256=yiqWc9USnChWK2Ri7Uto3FvWsLg-2K0ZCqnhheUFjCs,1195
kgcnn/model/serial.py,sha256=ImBzKF53nnwXBUXNAffJvLLDHHgaPVhG1apxynJ2h0o,18
kgcnn/model/utils.py,sha256=h2ItHV7mMfbZCuXMt4wx_KP9Hxs81DLD5tCKu6NcHnc,5430
kgcnn/molecule/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/molecule/base.py,sha256=uI_HRCvmI8Fm17YvR1aFU8CrTWG_4nhEB8RBXfm2TbU,10057
kgcnn/molecule/convert.py,sha256=Qw_ltYChTxLX8RxpqsM8_y0-1lf-Lr6mXyKwrtf2cfg,12505
kgcnn/molecule/encoder.py,sha256=JvUUkv6Kos7xpfJ87Eupw3ZbdfqijmscZvGd8lU0wWk,2556
kgcnn/molecule/graph_babel.py,sha256=ACsThX4vlzZ5AoXzaVingLy3NCb55hToxbYh6o5BboM,17892
kgcnn/molecule/graph_rdkit.py,sha256=IMeI3io5Wc6oMBiNh96PpNzUXDximDgZ9CUJg_rgdug,20750
kgcnn/molecule/io.py,sha256=ocbZZQwSewRp78RAnTYKHvSXZEtEiAuMoGpv0FN-sLE,9149
kgcnn/molecule/methods.py,sha256=GI3PQ3KocXuTBiHxGzNY-_QmUeku1A4U4UcHOjBGd-Q,5105
kgcnn/molecule/serial.py,sha256=1a4qociomBXPKGi3AM2FHVjXVE48mJH8i0KGPVYPdSs,702
kgcnn/molecule/dynamics/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/molecule/dynamics/ase_calc.py,sha256=dWcUZjnGd_Wp4GsAYvjuDR7nmYVafXU_AC_j0W_Wh7k,3911
kgcnn/molecule/dynamics/base.py,sha256=gYJ00QlUCLjBVa8F_OznTJFyDJ8wVI7uk8w1KbWv574,8386
kgcnn/molecule/external/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/molecule/external/ballloon.py,sha256=fDWecSF-8Wz3tN-psqRyIrKr1rQclCUsjAyWfRPf6k4,20790
kgcnn/ops/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/ops/activ.py,sha256=1XzjgrkMeRJLbI6n1tW4hOkQIFL3XNLOqhMcBNcBDlQ,2473
kgcnn/ops/axis.py,sha256=XZZXmdOGIjd536NHVPRisdfZ7F0e8nBzpTldXBm7-KQ,1483
kgcnn/ops/casting.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/ops/initializer.py,sha256=feX_M7cELjcuvQEWsPRlujRJQsCh2SpY2i3ERnUrVAg,6991
kgcnn/ops/numpy.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/ops/partition.py,sha256=JDkxyInh28PhQeuIyUYllE-GQwXLzuck1RMw1vM8Lqc,8292
kgcnn/ops/polynom.py,sha256=Z3nANgn2LAIPjDbr8yqOV6iEyq_qbWCPJOcMAcdOdgQ,10223
kgcnn/ops/ragged.py,sha256=UoScikrrf9fKBKXMm6Xpc4DHq0tEBIBtpCfpZhmsJRI,3181
kgcnn/ops/scatter.py,sha256=zlYy1SrgxL71Jl4KrWjk-HGFijcqR3zEW1VGIhhIWDY,1148
kgcnn/ops/segment.py,sha256=c_nUKOtfO8zlXCWbHN2S44gcWpAuuQDCuIPO7pdH6Is,2142
kgcnn/ops/sorting.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/training/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kgcnn/training/callbacks.py,sha256=8mbT7jb9s5WR7bcPbo1NmPxP1FX7xYT1EgyxNfEmCBY,1345
kgcnn/training/history.py,sha256=4To8AFnwfi4ofFsVztA5B6piZ_ZXGvrv7nkvDzSn36o,4836
kgcnn/training/hyper.py,sha256=JiVTz4tB-2Y6fr148_9ftVN3ggsS6YAgsJEMBgLcZGg,14960
kgcnn/training/optimizer.py,sha256=p9KeLATjNLwrWvRSyUS4FrHTPC4kFfHkpQLoSlYnkss,8691
kgcnn/training/schedule.py,sha256=B4dH1ap4e5CJcZxKaqaZxAXGQPYgS6rI-oXSFk7m5G4,3945
kgcnn/training/scheduler.py,sha256=yLW35fkp3pJmVubkFxG5Xlbsp0Fwoj6UglCJMno3OlI,20040
kgcnn/utils/__init__.py,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
kgcnn/utils/devices.py,sha256=4bS9cU2jDx1EecZhEJcPYHIM1AkBuvfOsrK8ItzJNc8,2249
kgcnn/utils/plots.py,sha256=lkGlmQMByw4nrCB9LN3KaJ4pq0ll_D6e3oQ3Pm-xUD4,7356
kgcnn/utils/serial.py,sha256=s0q4Y7boTXY0EkKzch6QIM0fxc3SNwJKiknMcAts-1E,2310
test/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
test/test_data_base.py,sha256=r9LiKVkDdAn1FULg8EzjhCoCfFUZmtPydpttCm-AbjM,4986
test/test_data_moleculenet.py,sha256=I-YRCeck2sOwPIXTBuZAOGx7_p3dLVesHvt2yffU7es,7931
test/test_graph_base.py,sha256=nishQVQFhp7I1r4jLVCtxJJIO8NflQaaZs1ot5Y9NBk,1255
test/test_graph_methods.py,sha256=WESJtdPr7UFQU8mIR8vpv7RkmtkGMKMBFm-wrD0XNW8,4149
test/test_graph_methods_periodic.py,sha256=igdx70izN4qJtlug7elkOiwpd91Ppeet1Ri9qtCHS6A,8078
test/test_layers_attention.py,sha256=vn5dVVUVjEmHx1p-ksnUGn0emS_AuD2FgeGS0RYrf0A,5184
test/test_layers_gather.py,sha256=xxZRfUb_uST14kobecF0nyHaLjWY2741LlBrf6Nsqh0,4229
test/test_layers_geom.py,sha256=3AiqVgGOIZxnW76Kfchwf11z5BMLkiG3uH6fcStqQA8,7647
test/test_layers_pooling.py,sha256=J62PevnW-4BUDB_6cWb_8Hbe1vfmdcV9cPN71OV4LLw,2338
test/utils.py,sha256=b7xLY2Mel533adnxOmBxhbUKs2c4APqIW4qf2sB8bSs,118
kgcnn-3.0.2.dist-info/AUTHORS,sha256=-Jfn2TQVSRjJUgNqIKspNuTOIMSQA4vAJs8_eLwSIpM,76
kgcnn-3.0.2.dist-info/LICENSE,sha256=tDb6RV9sR6zZtxgD0CY3kVTypQLSFdBXgxOscDZk7a0,1066
kgcnn-3.0.2.dist-info/METADATA,sha256=SJTSW9TXCJJBGZ4iaE6NPsuMR2TeGpe8jPVCviM4b34,19771
kgcnn-3.0.2.dist-info/WHEEL,sha256=ewwEueio1C2XeHTvT17n8dZUJgOvyCWCt0WVNLClP9o,92
kgcnn-3.0.2.dist-info/top_level.txt,sha256=Z6BG15v39bF8kexF1Sjq-1yTldsS5kqZ0mRlxSJ7gqQ,11
kgcnn-3.0.2.dist-info/RECORD,,
