2880 23.42 23.43 70.2 18.48 18.90 17.64 18.08 2627 25.99 22.44 22.32 64.6 42.24 46.83 34.55 38.15 416.03 406.38 306.26 297.62 57.2 9.50 9.45 9.70 9.64 78.32 79.88 53.61 5424 37.73 40 35 36.25 38.72 51.88 51.19 46.94 46.25 32.94 33.48 37.71 37.90 42.12 43.67 44.71 46.20 147.79 151 140.60 145.18 50m 8.08 8.01 9.01 8.88 40_71 41.18 48.06 48.56 17 IZA 06 79 83 01 28 RΓ¨glement Γ  envoyer Γ : Salsa Bella – 4 place Emmanuel de Fonscolombe – 83310 LA MΓ”LE. RESERVATION avec paiement obligatoire !!! LIEN SERVICEComment faire livrer une plaque funΓ©raire ? En plus de la qualitΓ© de nos produits nous vous apportons un service exemplaire. 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Articles from this journal are generally available in PMC after a 6-month delay embargo; however, the delay may vary at the discretion of the from Applied and Environmental Microbiology are provided here courtesy of American Society for Microbiology ASM Small molecules Name Source Statistics Labels/Attributes Download ZIP Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Geometry Edge Attr. AIDS [16,17] 2000 2 + + + 4 – – AIDS alchemy_full [29] 202579 R 12 + + + 3 3D, RI – alchemy_full aspirin [36] 111763 R 1 + – + 6 3D, RI – aspirin benzene [36] 527984 R 1 + – + 6 3D, RI – benzene BZR [7] 405 2 + – + 3 3D, RI – BZR BZR_MD [7,23] 306 2 + + – – + 1 BZR_MD COX2 [7] 467 2 + – + 3 3D, RI – COX2 COX2_MD [7,23] 303 2 + + – – + 1 COX2_MD DHFR [7] 467 2 + – + 3 3D, RI – DHFR DHFR_MD [7,23] 393 2 + + – – + 1 DHFR_MD ER_MD [7,23] 446 2 + + – – + 1 ER_MD ethanol [36] 455093 R 1 + – + 6 3D, RI – ethanol FRANKENSTEIN [15] 4337 2 – – + 780 – – FRANKENSTEIN malonaldehyde [36] 893238 R 1 + – + 6 3D, RI – malonaldehyde MCF-7 [28] 27770 2 + + – – – MCF-7 MCF-7H [28] 27770 2 + + – – – MCF-7H MOLT-4 [28] 39765 2 + + – – – MOLT-4 MOLT-4H [28] 39765 2 + + – – – MOLT-4H Mutagenicity [16,20] 4337 2 + + – – – Mutagenicity MUTAG [1,23] 188 2 + + – – – MUTAG naphthalene [36] 226256 R 1 + – + 6 3D, RI – naphthalene NCI1 [8,9,22] 4110 2 + – – – – NCI1 NCI109 [8,9,22] 4127 2 + – – – – NCI109 NCI-H23 [28] 40353 2 + + – – – NCI-H23 NCI-H23H [28] 40353 2 + + – – – NCI-H23H OVCAR-8 [28] 40516 2 + + – – – OVCAR-8 OVCAR-8H [28] 40516 2 + + – – – OVCAR-8H P388 [28] 41472 2 + + – – – P388 P388H [28] 41472 2 + + – – – P388H PC-3 [28] 27509 2 + + – – – PC-3 PC-3H [28] 27509 2 + + – – – PC-3H PTC_FM [2,23] 349 2 + + – – – PTC_FM PTC_FR [2,23] 351 2 + + – – – PTC_FR PTC_MM [2,23] 336 2 + + – – – PTC_MM PTC_MR [2,23] 344 2 + + – – – PTC_MR QM9 [33,34,35] 129433 R 19 – – + 16 3D, RI + 4 QM9 salicylic_acid [36] 220232 R 1 + – + 6 3D, RI – salicylic_acid SF-295 [28] 40271 2 + + – – – SF-295 SF-295H [28] 40271 2 + + – – – SF-295H SN12C [28] 40004 2 + + – – – SN12C SN12CH [28] 40004 2 + + – – – SN12CH SW-620 [28] 40532 2 + + – – – SW-620 SW-620H [28] 40532 2 + + – – – SW-620H toluene [36] 342791 R 1 + – + 6 3D, RI – toluene Tox21_AhR_training [24] 8169 2 + + – – – Tox21_AhR_training Tox21_AhR_testing [24] 272 2 + + – – – Tox21_AhR_testing Tox21_AhR_evaluation [24] 607 2 + + – – – Tox21_AhR_evaluation Tox21_AR_training [24] 9362 2 + + – – – Tox21_AR_training Tox21_AR_testing [24] 292 2 + + – – – Tox21_AR_testing Tox21_AR_evaluation [24] 585 2 + + – – – Tox21_AR_evaluation Tox21_AR-LBD_training [24] 8599 2 + + – – – Tox21_AR-LBD_training Tox21_AR-LBD_testing [24] 253 2 + + – – – Tox21_AR-LBD_testing Tox21_AR-LBD_evaluation [24] 580 2 + + – – – Tox21_AR-LBD_evaluation Tox21_ARE_training [24] 7167 2 + + – – – Tox21_ARE_training Tox21_ARE_testing [24] 234 2 + + – – – Tox21_ARE_testing Tox21_ARE_evaluation [24] 552 2 + + – – – Tox21_ARE_evaluation Tox21_aromatase_training [24] 7226 2 + + – – – Tox21_aromatase_training Tox21_aromatase_testing [24] 214 2 + + – – – Tox21_aromatase_testing Tox21_aromatase_evaluation [24] 528 2 + + – – – Tox21_aromatase_evaluation Tox21_ATAD5_training [24] 9091 2 + + – – – Tox21_ATAD5_training Tox21_ATAD5_testing [24] 272 2 + + – – – Tox21_ATAD5_testing Tox21_ATAD5_evaluation [24] 619 2 + + – – – Tox21_ATAD5_evaluation Tox21_ER_training [24] 7697 2 + + – – – Tox21_ER_training Tox21_ER_testing [24] 265 2 + + – – – Tox21_ER_testing Tox21_ER_evaluation [24] 515 2 + + – – – Tox21_ER_evaluation Tox21_ER-LBD_training [24] 8753 2 + + – – – Tox21_ER-LBD_training Tox21_ER-LBD_testing [24] 287 2 + + – – – Tox21_ER-LBD_testing Tox21_ER-LBD_evaluation [24] 599 2 + + – – – Tox21_ER-LBD_evaluation Tox21_HSE_training [24] 8150 2 + + – – – Tox21_HSE_training Tox21_HSE_testing [24] 267 2 + + – – – Tox21_HSE_testing Tox21_HSE_evaluation [24] 607 2 + + – – – Tox21_HSE_evaluation Tox21_MMP_training [24] 7320 2 + + – – – Tox21_MMP_training Tox21_MMP_testing [24] 238 2 + + – – – Tox21_MMP_testing Tox21_MMP_evaluation [24] 541 2 + + – – – Tox21_MMP_evaluation Tox21_p53_training [24] 8634 2 + + – – – Tox21_p53_training Tox21_p53_testing [24] 269 2 + + – – – Tox21_p53_testing Tox21_p53_evaluation [24] 613 2 + + – – – Tox21_p53_evaluation Tox21_PPAR-gamma_training [24] 8184 2 + + – – – Tox21_PPAR-gamma_training Tox21_PPAR-gamma_testing [24] 267 2 + + – – – Tox21_PPAR-gamma_testing Tox21_PPAR-gamma_evaluation [24] 602 2 + + – – – Tox21_PPAR-gamma_evaluation UACC257 [28] 39988 2 + + – – – UACC257 UACC257H [28] 39988 2 + + – – – UACC257H uracil [36] 133770 R 1 + – + 6 3D, RI – uracil Yeast [28] 79601 2 + + – – – Yeast YeastH [28] 79601 2 + + – – – YeastH ZINC_full [31] 249456 R 1 + + – – – ZINC_full ZINC_test [31] 5000 R 1 + + – – – ZINC_test ZINC_train [31] 220011 R 1 + + – – – ZINC_train ZINC_val [31] 24445 R 1 + + – – – ZINC_val Bioinformatics Name Source Statistics Labels/Attributes Download ZIP Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Geometry Edge Attr. DD [6,22] 1178 2 + – – – – DD ENZYMES [4,5] 600 6 + – + 18 – – ENZYMES KKI [26] 83 2 + – – – – KKI OHSU [26] 79 2 + – – – – OHSU Peking_1 [26] 85 2 + – – – – Peking_1 PROTEINS [4,6] 1113 2 + – + 1 – – PROTEINS PROTEINS_full [4,6] 1113 2 + – + 29 – – PROTEINS_full Computer vision Name Source Statistics Labels/Attributes Download ZIP Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Geometry Edge Attr. COIL-DEL [16,18] 3900 100 – + + 2 – – COIL-DEL COIL-RAG [16,18] 3900 100 – – + 64 – + 1 COIL-RAG Cuneiform [25] 267 30 + + + 3 3D + 2 Cuneiform Fingerprint [16,19] 2800 15 – – + 2 2D + 2 Fingerprint FIRSTMM_DB [11,12,13] 41 11 + – + 1 – + 2 FIRSTMM_DB Letter-high [16] 2250 15 – – + 2 2D – Letter-high Letter-low [16] 2250 15 – – + 2 2D – Letter-low Letter-med [16] 2250 15 – – + 2 2D – Letter-med MSRC_9 [13] 221 8 + – – – – MSRC_9 MSRC_21 [13] 563 20 + – – – – MSRC_21 MSRC_21C [13] 209 20 + – – – – MSRC_21C Name Source Statistics Labels/Attributes Download ZIP Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Geometry Edge Attr. COLLAB [14] 5000 3 – – – – – COLLAB dblp_ct1 [32] 755 2 temporal – – – temporal dblp_ct1 dblp_ct2 [32] 755 2 temporal – – – temporal dblp_ct2 DBLP_v1 [26] 19456 2 + + – – – DBLP_v1 deezer_ego_nets [30] 9629 2 – – – – – deezer_ego_nets facebook_ct1 [32] 995 2 temporal – – – temporal facebook_ct1 facebook_ct2 [32] 995 2 temporal – – – temporal facebook_ct2 github_stargazers [30] 12725 2 – – – – – github_stargazers highschool_ct1 [32] 180 2 temporal – – – temporal highschool_ct1 highschool_ct2 [32] 180 2 temporal – – – temporal highschool_ct2 IMDB-BINARY [14] 1000 2 – – – β€”- IMDB-BINARY IMDB-MULTI [14] 1500 3 – – – β€”- IMDB-MULTI infectious_ct1 [32] 200 2 50 temporal – – – temporal infectious_ct1 infectious_ct2 [32] 200 2 50 temporal – – – temporal infectious_ct2 mit_ct1 [32] 97 2 20 temporal – – – temporal mit_ct1 mit_ct2 [32] 97 2 20 temporal – – – temporal mit_ct2 REDDIT-BINARY [14] 2000 2 – – – – – REDDIT-BINARY REDDIT-MULTI-5K [14] 4999 5 – – – – – REDDIT-MULTI-5K REDDIT-MULTI-12K [14] 11929 11 – – – – – REDDIT-MULTI-12K reddit_threads [30] 203088 2 – – – – – reddit_threads tumblr_ct1 [32] 373 2 temporal – – – temporal tumblr_ct1 tumblr_ct2 [32] 373 2 temporal – – – temporal tumblr_ct2 twitch_egos [30] 127094 2 – – – – – twitch_egos TWITTER-Real-Graph-Partial [26] 144033 2 + – – – + 1 TWITTER-Real-Graph-Partial Synthetic Name Source Statistics Labels/Attributes Download ZIP Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Geometry Edge Attr. COLORS-3 [27] 10500 11 – – + 4 – – COLORS-3 SYNTHETIC [3] 300 2 – – + 1 – – SYNTHETIC SYNTHETICnew [3,10] 300 2 – – + 1 – – SYNTHETICnew Synthie [21] 400 4 – – + 15 – – Synthie TRIANGLES [27] 45000 10 – – – – – TRIANGLES RN are regression datasets with N tasks per graph. 2D/3D – attributes contain 2D or 3D coordinates. RI – task does not depend on rotation and translation.

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