Loading examples/bace_cgraphconv.pkl +7 −7 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I205 sS'nb_epoch' I295 sS'learning_rate' p2 I15 F0.0005921750330756524 sS'batch_size' p3 I50 I111 sS'seed' p4 I123 sS'n_filters' p5 I98 sS'learning_rate' I85 sS'nb_epoch' p6 F0.00037299480070794176 I20 s. No newline at end of file examples/bace_cweave.pkl +10 −10 Original line number Diff line number Diff line (dp0 S'nb_epoch' S'learning_rate' p1 I40 sS'n_pair_feat' p2 I14 F0.00028048474182915806 sS'batch_size' p3 I56 p2 I68 sS'n_graph_feat' p3 I398 sS'n_pair_feat' p4 I116 I14 sS'seed' p5 I123 sS'learning_rate' sS'nb_epoch' p6 F0.0005000291714296005 I10 s. No newline at end of file examples/pdbbindgraphconvreg_ECFP_core.pkl 0 → 100644 +20 −0 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I147 sS'nb_epoch' p2 I20 sS'batch_size' p3 I246 sS'seed' p4 I123 sS'n_filters' p5 I248 sS'learning_rate' p6 F0.0008573860984766104 s. No newline at end of file examples/pdbbindgraphconvreg_ECFP_full.pkl 0 → 100644 +20 −0 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I167 sS'nb_epoch' p2 I20 sS'batch_size' p3 I242 sS'seed' p4 I123 sS'n_filters' p5 I183 sS'learning_rate' p6 F0.000461373497329537 s. No newline at end of file examples/pdbbindgraphconvreg_ECFP_refined.pkl 0 → 100644 +20 −0 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I226 sS'nb_epoch' p2 I20 sS'batch_size' p3 I130 sS'seed' p4 I123 sS'n_filters' p5 I190 sS'learning_rate' p6 F0.0007723518891983962 s. No newline at end of file Loading
examples/bace_cgraphconv.pkl +7 −7 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I205 sS'nb_epoch' I295 sS'learning_rate' p2 I15 F0.0005921750330756524 sS'batch_size' p3 I50 I111 sS'seed' p4 I123 sS'n_filters' p5 I98 sS'learning_rate' I85 sS'nb_epoch' p6 F0.00037299480070794176 I20 s. No newline at end of file
examples/bace_cweave.pkl +10 −10 Original line number Diff line number Diff line (dp0 S'nb_epoch' S'learning_rate' p1 I40 sS'n_pair_feat' p2 I14 F0.00028048474182915806 sS'batch_size' p3 I56 p2 I68 sS'n_graph_feat' p3 I398 sS'n_pair_feat' p4 I116 I14 sS'seed' p5 I123 sS'learning_rate' sS'nb_epoch' p6 F0.0005000291714296005 I10 s. No newline at end of file
examples/pdbbindgraphconvreg_ECFP_core.pkl 0 → 100644 +20 −0 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I147 sS'nb_epoch' p2 I20 sS'batch_size' p3 I246 sS'seed' p4 I123 sS'n_filters' p5 I248 sS'learning_rate' p6 F0.0008573860984766104 s. No newline at end of file
examples/pdbbindgraphconvreg_ECFP_full.pkl 0 → 100644 +20 −0 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I167 sS'nb_epoch' p2 I20 sS'batch_size' p3 I242 sS'seed' p4 I123 sS'n_filters' p5 I183 sS'learning_rate' p6 F0.000461373497329537 s. No newline at end of file
examples/pdbbindgraphconvreg_ECFP_refined.pkl 0 → 100644 +20 −0 Original line number Diff line number Diff line (dp0 S'n_fully_connected_nodes' p1 I226 sS'nb_epoch' p2 I20 sS'batch_size' p3 I130 sS'seed' p4 I123 sS'n_filters' p5 I190 sS'learning_rate' p6 F0.0007723518891983962 s. No newline at end of file
