update hindsight data from remote

asapdiscovery · Sep 30, 2024 · 1c0cb3c · 1c0cb3c
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diff --git a/plots/detail/docking/cross_moleculeset/2024-09-30_all_vs_cdd.png b/plots/detail/docking/cross_moleculeset/2024-09-30_all_vs_cdd.png
diff --git a/plots/detail/docking/per_moleculeset/2023-04-12_cyclic_amines_statistics.csv b/plots/detail/docking/per_moleculeset/2023-04-12_cyclic_amines_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/docking/per_moleculeset/2023-06-29_mac1_hinge_replacements_statistics.csv b/plots/detail/docking/per_moleculeset/2023-06-29_mac1_hinge_replacements_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/...tail/docking/per_moleculeset/2023-07-18-FEP_retro_MAC1_test_set_docking_md_statistics.csv b/...tail/docking/per_moleculeset/2023-07-18-FEP_retro_MAC1_test_set_docking_md_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/...tail/docking/per_moleculeset/2023-07-31-MAC1-FEP-retro-docking-stereo-test_statistics.csv b/...tail/docking/per_moleculeset/2023-07-31-MAC1-FEP-retro-docking-stereo-test_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/.../docking/per_moleculeset/2023-08-3_big_szybki_enumerated_docking_all_vs_cdd.png b/.../docking/per_moleculeset/2023-08-3_big_szybki_enumerated_docking_all_vs_cdd.png
diff --git a/plots/detail/docking/per_moleculeset/2023-08-3_big_szybki_enumerated_docking_statistics.csv b/plots/detail/docking/per_moleculeset/2023-08-3_big_szybki_enumerated_docking_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/...il/docking/per_moleculeset/2023-11-08_docking_e2e_test_full_cdd_sars2_mpro_statistics.csv b/...il/docking/per_moleculeset/2023-11-08_docking_e2e_test_full_cdd_sars2_mpro_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/docking/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_statistics.csv b/plots/detail/docking/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/docking/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_v2_statistics.csv b/plots/detail/docking/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_v2_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/...er_moleculeset/2024-05-08_amide_linker_enumerations_largedocking_all_vs_cdd.png b/...er_moleculeset/2024-05-08_amide_linker_enumerations_largedocking_all_vs_cdd.png
diff --git a/.../docking/per_moleculeset/2024-05-08_amide_linker_enumerations_largedocking_statistics.csv b/.../docking/per_moleculeset/2024-05-08_amide_linker_enumerations_largedocking_statistics.csv
@@ -1,4 +1,4 @@
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diff --git a/...tail/docking/per_moleculeset/2024-06-21_ASAP-0028856_piperidine_follow_ups_statistics.csv b/...tail/docking/per_moleculeset/2024-06-21_ASAP-0028856_piperidine_follow_ups_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/...tail/docking/per_moleculeset/2024-08-15_piperidines_FEP_follow_ups_docking_statistics.csv b/...tail/docking/per_moleculeset/2024-08-15_piperidines_FEP_follow_ups_docking_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
 value,1.6261020340409402,1.8480762553077361,0.7058640106601116,0.7999999999999999,0.5555555555555556
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diff --git a/plots/detail/docking/per_moleculeset/ASAP-DESIGN-1572_statistics.csv b/plots/detail/docking/per_moleculeset/ASAP-DESIGN-1572_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/docking/per_moleculeset/RuleDesign_AllRules-ASAP-0000272_statistics.csv b/plots/detail/docking/per_moleculeset/RuleDesign_AllRules-ASAP-0000272_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/docking/per_moleculeset/test_big_scale_hmo_statistics.csv b/plots/detail/docking/per_moleculeset/test_big_scale_hmo_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/fecs/all_fecs_all_msets/2024-09-30_MERS-CoV-Mpro.png b/plots/detail/fecs/all_fecs_all_msets/2024-09-30_MERS-CoV-Mpro.png
diff --git a/plots/detail/fecs/all_fecs_all_msets/2024-09-30_SARS-CoV-2-Mpro.png b/plots/detail/fecs/all_fecs_all_msets/2024-09-30_SARS-CoV-2-Mpro.png
diff --git a/plots/detail/fecs/all_fecs_all_targets_all_msets/2024-09-30.png b/plots/detail/fecs/all_fecs_all_targets_all_msets/2024-09-30.png
diff --git a/plots/detail/ml-gat/cross_moleculeset/2024-09-30_all_vs_cdd.png b/plots/detail/ml-gat/cross_moleculeset/2024-09-30_all_vs_cdd.png
diff --git a/plots/detail/ml-gat/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_v2_statistics.csv b/plots/detail/ml-gat/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_v2_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/ml-gat/per_moleculeset/ASAP-DESIGN-1572_statistics.csv b/plots/detail/ml-gat/per_moleculeset/ASAP-DESIGN-1572_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/ml-schnet/cross_moleculeset/2024-09-30_all_vs_cdd.png b/plots/detail/ml-schnet/cross_moleculeset/2024-09-30_all_vs_cdd.png
diff --git a/...il/ml-schnet/per_moleculeset/2023-07-18-FEP_retro_MAC1_test_set_docking_md_statistics.csv b/...il/ml-schnet/per_moleculeset/2023-07-18-FEP_retro_MAC1_test_set_docking_md_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/ml-schnet/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_v2_statistics.csv b/plots/detail/ml-schnet/per_moleculeset/2024-01-29_sars_cov_2_all_cdd_v2_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/ml-schnet/per_moleculeset/ASAP-DESIGN-1572_statistics.csv b/plots/detail/ml-schnet/per_moleculeset/ASAP-DESIGN-1572_statistics.csv
@@ -1,4 +1,4 @@
 ,MAE,RMSE,PEARSONR,SPEARMANRHO,KENDALLTAU
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diff --git a/plots/detail/stat_progressions/2024-09-30_docking_kendalltau.png b/plots/detail/stat_progressions/2024-09-30_docking_kendalltau.png
diff --git a/plots/detail/stat_progressions/2024-09-30_docking_mae.png b/plots/detail/stat_progressions/2024-09-30_docking_mae.png
diff --git a/plots/detail/stat_progressions/2024-09-30_docking_pearsonr.png b/plots/detail/stat_progressions/2024-09-30_docking_pearsonr.png
diff --git a/plots/detail/stat_progressions/2024-09-30_docking_rmse.png b/plots/detail/stat_progressions/2024-09-30_docking_rmse.png
diff --git a/plots/detail/stat_progressions/2024-09-30_docking_spearmanrho.png b/plots/detail/stat_progressions/2024-09-30_docking_spearmanrho.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-gat_kendalltau.png b/plots/detail/stat_progressions/2024-09-30_ml-gat_kendalltau.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-gat_mae.png b/plots/detail/stat_progressions/2024-09-30_ml-gat_mae.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-gat_pearsonr.png b/plots/detail/stat_progressions/2024-09-30_ml-gat_pearsonr.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-gat_rmse.png b/plots/detail/stat_progressions/2024-09-30_ml-gat_rmse.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-gat_spearmanrho.png b/plots/detail/stat_progressions/2024-09-30_ml-gat_spearmanrho.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-schnet_kendalltau.png b/plots/detail/stat_progressions/2024-09-30_ml-schnet_kendalltau.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-schnet_mae.png b/plots/detail/stat_progressions/2024-09-30_ml-schnet_mae.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-schnet_pearsonr.png b/plots/detail/stat_progressions/2024-09-30_ml-schnet_pearsonr.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-schnet_rmse.png b/plots/detail/stat_progressions/2024-09-30_ml-schnet_rmse.png
diff --git a/plots/detail/stat_progressions/2024-09-30_ml-schnet_spearmanrho.png b/plots/detail/stat_progressions/2024-09-30_ml-schnet_spearmanrho.png
diff --git a/plots/frontpage/docking.png b/plots/frontpage/docking.png
diff --git a/plots/frontpage/fecs.png b/plots/frontpage/fecs.png
diff --git a/plots/frontpage/ml-gat.png b/plots/frontpage/ml-gat.png
diff --git a/plots/frontpage/ml-schnet.png b/plots/frontpage/ml-schnet.png