Datasets

Small molecules

Name Source Statistics     Labels/Attributes         Download (ZIP)
    Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Edge Attr.  
alchemy_full [29] 202579 R (12) 10.10 10.44 + + + (3) alchemy_full
FRANKENSTEIN [15] 4337 2 16.90 17.88 + (780) FRANKENSTEIN
MCF-7 [28] 27770 2 26.39 28.52 + + MCF-7
MCF-7H [28] 27770 2 47.30 49.43 + + MCF-7H
MOLT-4 [28] 39765 2 26.09 28.13 + + MOLT-4
MOLT-4H [28] 39765 2 46.70 48.73 + + MOLT-4H
Mutagenicity [16,20] 4337 2 30.32 30.77 + + Mutagenicity
MUTAG [1,23] 188 2 17.93 19.79 + + MUTAG
NCI1 [8,9,22] 4110 2 29.87 32.30 + NCI1
NCI109 [8,9,22] 4127 2 29.68 32.13 + NCI109
NCI-H23 [28] 40353 2 26.07 28.10 + + NCI-H23
NCI-H23H [28] 40353 2 46.67 48.69 + + NCI-H23H
OVCAR-8 [28] 40516 2 26.07 28.10 + + OVCAR-8
OVCAR-8H [28] 40516 2 46.67 48.70 + + OVCAR-8H
P388 [28] 41472 2 22.11 23.55 + + P388
P388H [28] 41472 2 40.44 41.88 + + P388H
PC-3 [28] 27509 2 26.35 28.49 + + PC-3
PC-3H [28] 27509 2 47.19 49.32 + + PC-3H
PTC_FM [2,23] 349 2 14.11 14.48 + + PTC_FM
PTC_FR [2,23] 351 2 14.56 15.00 + + PTC_FR
PTC_MM [2,23] 336 2 13.97 14.32 + + PTC_MM
PTC_MR [2,23] 344 2 14.29 14.69 + + PTC_MR
QM9 [33,34,35] 129433 R (19) 18.03 18.63 + (16) + (4) QM9
SF-295 [28] 40271 2 26.06 28.08 + + SF-295
SF-295H [28] 40271 2 46.65 48.68 + + SF-295H
SN12C [28] 40004 2 26.08 28.11 + + SN12C
SN12CH [28] 40004 2 46.69 48.71 + + SN12CH
SW-620 [28] 40532 2 26.05 28.08 + + SW-620
SW-620H [28] 40532 2 46.62 48.65 + + SW-620H
Tox21_AhR_training [24] 8169 2 18.09 18.50 + + Tox21_AhR_training
Tox21_AhR_testing [24] 272 2 22.13 23.05 + + Tox21_AhR_testing
Tox21_AhR_evaluation [24] 607 2 17.64 18.06 + + Tox21_AhR_evaluation
Tox21_AR_training [24] 9362 2 18.39 18.84 + + Tox21_AR_training
Tox21_AR_testing [24] 292 2 22.35 23.32 + + Tox21_AR_testing
Tox21_AR_evaluation [24] 585 2 17.99 18.45 + + Tox21_AR_evaluation
Tox21_AR-LBD_training [24] 8599 2 17.77 18.16 + + Tox21_AR-LBD_training
Tox21_AR-LBD_testing [24] 253 2 21.85 22.73 + + Tox21_AR-LBD_testing
Tox21_AR-LBD_evaluation [24] 580 2 17.09 17.42 + + Tox21_AR-LBD_evaluation
Tox21_ARE_training [24] 7167 2 16.28 16.52 + + Tox21_ARE_training
Tox21_ARE_testing [24] 234 2 21.99 22.91 + + Tox21_ARE_testing
Tox21_ARE_evaluation [24] 552 2 17.01 17.33 + + Tox21_ARE_evaluation
Tox21_aromatase_training [24] 7226 2 17.50 17.79 + + Tox21_aromatase_training
Tox21_aromatase_testing [24] 214 2 21.65 22.36 + + Tox21_aromatase_testing
Tox21_aromatase_evaluation [24] 528 2 16.74 16.99 + + Tox21_aromatase_evaluation
Tox21_ATAD5_training [24] 9091 2 17.89 18.30 + + Tox21_ATAD5_training
Tox21_ATAD5_testing [24] 272 2 21.99 22.89 + + Tox21_ATAD5_testing
Tox21_ATAD5_evaluation [24] 619 2 17.68 18.11 + + Tox21_ATAD5_evaluation
Tox21_ER_training [24] 7697 2 17.58 17.94 + + Tox21_ER_training
Tox21_ER_testing [24] 265 2 22.16 23.13 + + Tox21_ER_testing
Tox21_ER_evaluation [24] 515 2 17.66 18.10 + + Tox21_ER_evaluation
Tox21_ER-LBD_training [24] 8753 2 18.06 18.47 + + Tox21_ER-LBD_training
Tox21_ER-LBD_testing [24] 287 2 22.28 23.23 + + Tox21_ER-LBD_testing
Tox21_ER-LBD_evaluation [24] 599 2 17.75 18.17 + + Tox21_ER-LBD_evaluation
Tox21_HSE_training [24] 8150 2 16.72 17.04 + + Tox21_HSE_training
Tox21_HSE_testing [24] 267 2 22.07 23.00 + + Tox21_HSE_testing
Tox21_HSE_evaluation [24] 607 2 17.61 18.01 + + Tox21_HSE_evaluation
Tox21_MMP_training [24] 7320 2 17.49 17.83 + + Tox21_MMP_training
Tox21_MMP_testing [24] 238 2 21.68 22.55 + + Tox21_MMP_testing
Tox21_MMP_evaluation [24] 541 2 16.67 16.88 + + Tox21_MMP_evaluation
Tox21_p53_training [24] 8634 2 17.79 18.19 + + Tox21_p53_training
Tox21_p53_testing [24] 269 2 22.14 23.04 + + Tox21_p53_testing
Tox21_p53_evaluation [24] 613 2 17.34 17.72 + + Tox21_p53_evaluation
Tox21_PPAR-gamma_training [24] 8184 2 17.23 17.55 + + Tox21_PPAR-gamma_training
Tox21_PPAR-gamma_testing [24] 267 2 22.04 22.93 + + Tox21_PPAR-gamma_testing
Tox21_PPAR-gamma_evaluation [24] 602 2 17.38 17.77 + + Tox21_PPAR-gamma_evaluation
UACC257 [28] 39988 2 26.09 28.12 + + UACC257
UACC257H [28] 39988 2 46.68 48.71 + + UACC257H
Yeast [28] 79601 2 21.54 22.84 + + Yeast
YeastH [28] 79601 2 39.44 40.74 + + YeastH
ZINC_full [31] 249456 R (1) 23.14 24.91 + + ZINC_full
ZINC_test [31] 5000 R (1) 23.10 24.83 + + ZINC_test
ZINC_train [31] 220011 R (1) 23.15 24.91 + + ZINC_train
ZINC_val [31] 24445 R (1) 23.13 24.88 + + ZINC_val

Bioinformatics

Name Source Statistics     Labels/Attributes         Download (ZIP)
    Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Edge Attr.  
AIDS [16,17] 2000 2 15.69 16.20 + + + (4) AIDS
BZR [7] 405 2 35.75 38.36 + + (3) BZR
BZR_MD [7,23] 306 2 21.30 225.06 + + + (1) BZR_MD
COX2 [7] 467 2 41.22 43.45 + + (3) COX2
COX2_MD [7,23] 303 2 26.28 335.12 + + + (1) COX2_MD
DHFR [7] 467 2 42.43 44.54 + + (3) DHFR
DHFR_MD [7,23] 393 2 23.87 283.01 + + + (1) DHFR_MD
ER_MD [7,23] 446 2 21.33 234.85 + + + (1) ER_MD
DD [6,22] 1178 2 284.32 715.66 + DD
ENZYMES [4,5] 600 6 32.63 62.14 + + (18) ENZYMES
KKI [26] 83 2 26.96 48.42 + KKI
OHSU [26] 79 2 82.01 199.66 + OHSU
Peking_1 [26] 85 2 39.31 77.35 + Peking_1
PROTEINS [4,6] 1113 2 39.06 72.82 + + (1) PROTEINS
PROTEINS_full [4,6] 1113 2 39.06 72.82 + + (29) PROTEINS_full

Computer vision

Name Source Statistics     Labels/Attributes         Download (ZIP)
    Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Edge Attr.  
COIL-DEL [16,18] 3900 100 21.54 54.24 + + (2) COIL-DEL
COIL-RAG [16,18] 3900 100 3.01 3.02 + (64) + (1) COIL-RAG
Cuneiform [25] 267 30 21.27 44.80 + + + (3) + (2) Cuneiform
Fingerprint [16,19] 2800 4 5.42 4.42 + (2) + (2) Fingerprint
FIRSTMM_DB [11,12,13] 41 11 1377.27 3074.10 + + (1) + (2) FIRSTMM_DB
Letter-high [16] 2250 15 4.67 4.50 + (2) Letter-high
Letter-low [16] 2250 15 4.68 3.13 + (2) Letter-low
Letter-med [16] 2250 15 4.67 4.50 + (2) Letter-med
MSRC_9 [13] 221 8 40.58 97.94 + MSRC_9
MSRC_21 [13] 563 20 77.52 198.32 + MSRC_21
MSRC_21C [13] 209 20 40.28 96.60 + MSRC_21C

Social networks

Name Source Statistics     Labels/Attributes         Download (ZIP)
    Graphs Classes Avg. Nodes Avg. Edges Node Labels Edge Labels Node Attr. Edge Attr.  
COLLAB [14] 5000 3 74.49 2457.78 COLLAB
dblp_ct1 [32] 755 2 52.87 320.09 temporal temporal dblp_ct1
dblp_ct2 [32] 755 2 52.87 320.09 temporal temporal dblp_ct2
DBLP_v1 [26] 19456 2 10.48 19.65 + + DBLP_v1
deezer_ego_nets [30] 9629 2 23.49 65.25 deezer_ego_nets
facebook_ct1 [32] 995 2 95.72 269.01 temporal temporal facebook_ct1
facebook_ct2 [32] 995 2 95.72 269.01 temporal temporal facebook_ct2
github_stargazers [30] 12725 2 113.79 234.64 github_stargazers
highschool_ct1 [32] 180 2 52.32 544.81 temporal temporal highschool_ct1
highschool_ct2 [32] 180 2 52.32 544.81 temporal temporal highschool_ct2
IMDB-BINARY [14] 1000 2 19.77 96.53 IMDB-BINARY
IMDB-MULTI [14] 1500 3 13.00 65.94 IMDB-MULTI
infectious_ct1 [32] 200 2 50 459.72 temporal temporal infectious_ct1
infectious_ct2 [32] 200 2 50 459.72 temporal temporal infectious_ct2
mit_ct1 [32] 97 2 20 1469.15 temporal temporal mit_ct1
mit_ct2 [32] 97 2 20 1469.15 temporal temporal mit_ct2
REDDIT-BINARY [14] 2000 2 429.63 497.75 REDDIT-BINARY
REDDIT-MULTI-5K [14] 4999 5 508.52 594.87 REDDIT-MULTI-5K
REDDIT-MULTI-12K [14] 11929 11 391.41 456.89 REDDIT-MULTI-12K
reddit_threads [30] 203088 2 23.93 24.99 reddit_threads
tumblr_ct1 [32] 373 2 53.11 199.78 temporal temporal tumblr_ct1
tumblr_ct2 [32] 373 2 53.11 199.78 temporal temporal tumblr_ct2
twitch_egos [30] 127094 2 29.67 86.59 twitch_egos
TWITTER-Real-Graph-Partial [26] 144033 2 4.03 4.98 + + (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. Edge Attr.  
COLORS-3 [27] 10500 11 61.31 91.03 + (4) COLORS-3
SYNTHETIC [3] 300 2 100.00 196.00 + (1) SYNTHETIC
SYNTHETICnew [3,10] 300 2 100.00 196.25 + (1) SYNTHETICnew
Synthie [21] 400 4 95.00 172.93 + (15) Synthie
TRIANGLES [27] 45000 10 20.85 32.74 TRIANGLES

All Data Sets

All Data Sets

R(N) are regression datasets with N tasks per graph.