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  ---
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- dataset_info:
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- features:
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572
- '550': 3.30.1560
573
- '551': 3.30.1580
574
- '552': 3.30.160
575
- '553': 3.30.1600
576
- '554': 3.30.1610
577
- '555': 3.30.1640
578
- '556': 3.30.1660
579
- '557': 3.30.1680
580
- '558': 3.30.1690
581
- '559': 3.30.170
582
- '560': 3.30.1700
583
- '561': 3.30.1740
584
- '562': 3.30.1760
585
- '563': 3.30.1770
586
- '564': 3.30.1780
587
- '565': 3.30.1810
588
- '566': 3.30.1830
589
- '567': 3.30.1840
590
- '568': 3.30.1860
591
- '569': 3.30.1880
592
- '570': 3.30.1890
593
- '571': 3.30.190
594
- '572': 3.30.1900
595
- '573': 3.30.1910
596
- '574': 3.30.1920
597
- '575': 3.30.1950
598
- '576': 3.30.1960
599
- '577': 3.30.200
600
- '578': 3.30.2000
601
- '579': 3.30.2010
602
- '580': 3.30.2020
603
- '581': 3.30.2030
604
- '582': 3.30.2060
605
- '583': 3.30.2080
606
- '584': 3.30.2090
607
- '585': 3.30.210
608
- '586': 3.30.2110
609
- '587': 3.30.2120
610
- '588': 3.30.2130
611
- '589': 3.30.2140
612
- '590': 3.30.2160
613
- '591': 3.30.2170
614
- '592': 3.30.2190
615
- '593': 3.30.2220
616
- '594': 3.30.2230
617
- '595': 3.30.2250
618
- '596': 3.30.2260
619
- '597': 3.30.2270
620
- '598': 3.30.2280
621
- '599': 3.30.2290
622
- '600': 3.30.230
623
- '601': 3.30.2300
624
- '602': 3.30.2310
625
- '603': 3.30.2320
626
- '604': 3.30.2330
627
- '605': 3.30.2340
628
- '606': 3.30.2350
629
- '607': 3.30.2380
630
- '608': 3.30.2390
631
- '609': 3.30.240
632
- '610': 3.30.2410
633
- '611': 3.30.2420
634
- '612': 3.30.2430
635
- '613': 3.30.2450
636
- '614': 3.30.2460
637
- '615': 3.30.250
638
- '616': 3.30.280
639
- '617': 3.30.30
640
- '618': 3.30.300
641
- '619': 3.30.310
642
- '620': 3.30.350
643
- '621': 3.30.360
644
- '622': 3.30.365
645
- '623': 3.30.370
646
- '624': 3.30.379
647
- '625': 3.30.390
648
- '626': 3.30.40
649
- '627': 3.30.410
650
- '628': 3.30.413
651
- '629': 3.30.420
652
- '630': 3.30.428
653
- '631': 3.30.429
654
- '632': 3.30.43
655
- '633': 3.30.430
656
- '634': 3.30.450
657
- '635': 3.30.457
658
- '636': 3.30.460
659
- '637': 3.30.465
660
- '638': 3.30.470
661
- '639': 3.30.479
662
- '640': 3.30.497
663
- '641': 3.30.499
664
- '642': 3.30.50
665
- '643': 3.30.500
666
- '644': 3.30.505
667
- '645': 3.30.530
668
- '646': 3.30.54
669
- '647': 3.30.540
670
- '648': 3.30.559
671
- '649': 3.30.56
672
- '650': 3.30.560
673
- '651': 3.30.565
674
- '652': 3.30.572
675
- '653': 3.30.590
676
- '654': 3.30.60
677
- '655': 3.30.63
678
- '656': 3.30.67
679
- '657': 3.30.70
680
- '658': 3.30.700
681
- '659': 3.30.710
682
- '660': 3.30.720
683
- '661': 3.30.730
684
- '662': 3.30.740
685
- '663': 3.30.750
686
- '664': 3.30.760
687
- '665': 3.30.780
688
- '666': 3.30.800
689
- '667': 3.30.830
690
- '668': 3.30.860
691
- '669': 3.30.870
692
- '670': 3.30.9
693
- '671': 3.30.900
694
- '672': 3.30.910
695
- '673': 3.30.920
696
- '674': 3.30.930
697
- '675': 3.30.950
698
- '676': 3.30.960
699
- '677': 3.30.980
700
- '678': 3.30.990
701
- '679': 3.30.x
702
- '680': 3.40.10
703
- '681': 3.40.1000
704
- '682': 3.40.1010
705
- '683': 3.40.1030
706
- '684': 3.40.1050
707
- '685': 3.40.1060
708
- '686': 3.40.1080
709
- '687': 3.40.109
710
- '688': 3.40.1090
711
- '689': 3.40.1110
712
- '690': 3.40.1120
713
- '691': 3.40.1130
714
- '692': 3.40.1160
715
- '693': 3.40.1170
716
- '694': 3.40.1180
717
- '695': 3.40.1190
718
- '696': 3.40.120
719
- '697': 3.40.1210
720
- '698': 3.40.1230
721
- '699': 3.40.1260
722
- '700': 3.40.1280
723
- '701': 3.40.1310
724
- '702': 3.40.1340
725
- '703': 3.40.1350
726
- '704': 3.40.1360
727
- '705': 3.40.1370
728
- '706': 3.40.1380
729
- '707': 3.40.1390
730
- '708': 3.40.140
731
- '709': 3.40.1400
732
- '710': 3.40.1410
733
- '711': 3.40.1420
734
- '712': 3.40.1440
735
- '713': 3.40.1450
736
- '714': 3.40.1460
737
- '715': 3.40.1470
738
- '716': 3.40.1480
739
- '717': 3.40.1490
740
- '718': 3.40.1500
741
- '719': 3.40.1520
742
- '720': 3.40.1530
743
- '721': 3.40.1550
744
- '722': 3.40.1560
745
- '723': 3.40.1570
746
- '724': 3.40.1580
747
- '725': 3.40.1590
748
- '726': 3.40.1610
749
- '727': 3.40.1620
750
- '728': 3.40.1650
751
- '729': 3.40.1660
752
- '730': 3.40.1670
753
- '731': 3.40.1690
754
- '732': 3.40.1700
755
- '733': 3.40.1710
756
- '734': 3.40.1720
757
- '735': 3.40.1730
758
- '736': 3.40.1740
759
- '737': 3.40.1760
760
- '738': 3.40.1770
761
- '739': 3.40.1780
762
- '740': 3.40.1790
763
- '741': 3.40.1800
764
- '742': 3.40.1810
765
- '743': 3.40.1830
766
- '744': 3.40.1840
767
- '745': 3.40.190
768
- '746': 3.40.20
769
- '747': 3.40.210
770
- '748': 3.40.220
771
- '749': 3.40.225
772
- '750': 3.40.228
773
- '751': 3.40.250
774
- '752': 3.40.30
775
- '753': 3.40.309
776
- '754': 3.40.33
777
- '755': 3.40.35
778
- '756': 3.40.350
779
- '757': 3.40.366
780
- '758': 3.40.367
781
- '759': 3.40.390
782
- '760': 3.40.395
783
- '761': 3.40.420
784
- '762': 3.40.430
785
- '763': 3.40.440
786
- '764': 3.40.449
787
- '765': 3.40.462
788
- '766': 3.40.47
789
- '767': 3.40.470
790
- '768': 3.40.5
791
- '769': 3.40.50
792
- '770': 3.40.525
793
- '771': 3.40.532
794
- '772': 3.40.570
795
- '773': 3.40.600
796
- '774': 3.40.605
797
- '775': 3.40.630
798
- '776': 3.40.640
799
- '777': 3.40.710
800
- '778': 3.40.718
801
- '779': 3.40.720
802
- '780': 3.40.80
803
- '781': 3.40.800
804
- '782': 3.40.830
805
- '783': 3.40.850
806
- '784': 3.40.91
807
- '785': 3.40.910
808
- '786': 3.40.920
809
- '787': 3.40.930
810
- '788': 3.40.950
811
- '789': 3.40.960
812
- '790': 3.40.970
813
- '791': 3.40.980
814
- '792': 3.40.x
815
- '793': 3.50.14
816
- '794': 3.50.20
817
- '795': 3.50.30
818
- '796': 3.50.4
819
- '797': 3.50.40
820
- '798': 3.50.50
821
- '799': 3.50.7
822
- '800': 3.50.70
823
- '801': 3.50.80
824
- '802': 3.50.90
825
- '803': 3.55.10
826
- '804': 3.55.30
827
- '805': 3.55.40
828
- '806': 3.55.50
829
- '807': 3.60.10
830
- '808': 3.60.110
831
- '809': 3.60.120
832
- '810': 3.60.130
833
- '811': 3.60.140
834
- '812': 3.60.15
835
- '813': 3.60.150
836
- '814': 3.60.20
837
- '815': 3.60.21
838
- '816': 3.60.40
839
- '817': 3.60.60
840
- '818': 3.60.70
841
- '819': 3.60.9
842
- '820': 3.60.90
843
- '821': 3.60.x
844
- '822': 3.65.10
845
- '823': 3.70.10
846
- '824': 3.75.10
847
- '825': 3.80.10
848
- '826': 3.80.20
849
- '827': 3.80.30
850
- '828': 3.90.10
851
- '829': 3.90.100
852
- '830': 3.90.1010
853
- '831': 3.90.1030
854
- '832': 3.90.105
855
- '833': 3.90.1070
856
- '834': 3.90.110
857
- '835': 3.90.1110
858
- '836': 3.90.1140
859
- '837': 3.90.1150
860
- '838': 3.90.1160
861
- '839': 3.90.1170
862
- '840': 3.90.1180
863
- '841': 3.90.120
864
- '842': 3.90.1200
865
- '843': 3.90.1210
866
- '844': 3.90.1260
867
- '845': 3.90.1280
868
- '846': 3.90.1300
869
- '847': 3.90.1310
870
- '848': 3.90.132
871
- '849': 3.90.1340
872
- '850': 3.90.1410
873
- '851': 3.90.1420
874
- '852': 3.90.1480
875
- '853': 3.90.1490
876
- '854': 3.90.15
877
- '855': 3.90.1510
878
- '856': 3.90.1520
879
- '857': 3.90.1530
880
- '858': 3.90.1560
881
- '859': 3.90.1570
882
- '860': 3.90.1580
883
- '861': 3.90.1590
884
- '862': 3.90.1600
885
- '863': 3.90.1640
886
- '864': 3.90.1670
887
- '865': 3.90.1680
888
- '866': 3.90.1690
889
- '867': 3.90.170
890
- '868': 3.90.1700
891
- '869': 3.90.1720
892
- '870': 3.90.1740
893
- '871': 3.90.175
894
- '872': 3.90.1750
895
- '873': 3.90.176
896
- '874': 3.90.180
897
- '875': 3.90.1800
898
- '876': 3.90.182
899
- '877': 3.90.1860
900
- '878': 3.90.190
901
- '879': 3.90.199
902
- '880': 3.90.20
903
- '881': 3.90.210
904
- '882': 3.90.215
905
- '883': 3.90.220
906
- '884': 3.90.226
907
- '885': 3.90.228
908
- '886': 3.90.230
909
- '887': 3.90.245
910
- '888': 3.90.25
911
- '889': 3.90.260
912
- '890': 3.90.280
913
- '891': 3.90.320
914
- '892': 3.90.330
915
- '893': 3.90.350
916
- '894': 3.90.380
917
- '895': 3.90.400
918
- '896': 3.90.420
919
- '897': 3.90.45
920
- '898': 3.90.460
921
- '899': 3.90.470
922
- '900': 3.90.480
923
- '901': 3.90.50
924
- '902': 3.90.520
925
- '903': 3.90.540
926
- '904': 3.90.550
927
- '905': 3.90.56
928
- '906': 3.90.580
929
- '907': 3.90.600
930
- '908': 3.90.640
931
- '909': 3.90.650
932
- '910': 3.90.660
933
- '911': 3.90.70
934
- '912': 3.90.700
935
- '913': 3.90.730
936
- '914': 3.90.740
937
- '915': 3.90.75
938
- '916': 3.90.76
939
- '917': 3.90.770
940
- '918': 3.90.78
941
- '919': 3.90.780
942
- '920': 3.90.79
943
- '921': 3.90.80
944
- '922': 3.90.800
945
- '923': 3.90.820
946
- '924': 3.90.830
947
- '925': 3.90.850
948
- '926': 3.90.870
949
- '927': 3.90.920
950
- '928': 3.90.930
951
- '929': 3.90.940
952
- '930': 3.90.950
953
- '931': 3.90.960
954
- '932': 3.90.980
955
- '933': 3.90.x
956
- '934': 4.10.110
957
- '935': 4.10.1240
958
- '936': 4.10.170
959
- '937': 4.10.220
960
- '938': 4.10.240
961
- '939': 4.10.260
962
- '940': 4.10.270
963
- '941': 4.10.280
964
- '942': 4.10.290
965
- '943': 4.10.320
966
- '944': 4.10.340
967
- '945': 4.10.40
968
- '946': 4.10.400
969
- '947': 4.10.410
970
- '948': 4.10.480
971
- '949': 4.10.490
972
- '950': 4.10.520
973
- '951': 4.10.530
974
- '952': 4.10.640
975
- '953': 4.10.70
976
- '954': 4.10.80
977
- '955': 4.10.800
978
- '956': 4.10.810
979
- '957': 4.10.820
980
- '958': 4.10.830
981
- '959': 4.10.860
982
- '960': 4.10.91
983
- '961': 4.10.910
984
- '962': 4.10.93
985
- '963': 4.10.950
986
- '964': 4.10.x
987
- splits:
988
- - name: test
989
- num_bytes: 553790403
990
- num_examples: 27638
991
- download_size: 449607618
992
- dataset_size: 553790403
993
- configs:
994
- - config_name: default
995
- data_files:
996
- - split: test
997
- path: data/test-*
998
  ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
  ---
2
+ license: bsd-3-clause
3
+ task_categories:
4
+ - other
5
+ task_ids:
6
+ - multi-class-classification
7
+ language:
8
+ - en
9
+ tags:
10
+ - protein
11
+ - structure
12
+ - fold-classification
13
+ - tedbench
14
+ - cath
15
+ - experimental
16
+ pretty_name: TEDBench-CATH
17
+ size_categories:
18
+ - 10K<n<100K
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
19
  ---
20
+
21
+ # TEDBench-CATH (CATH 4.4 external test set)
22
+
23
+ External test set derived from **CATH 4.4** experimental structures (40 %
24
+ non-redundant set), used to evaluate TEDBench models on crystallographic data.
25
+
26
+ Part of the [TEDBench](https://github.com/BorgwardtLab/TEDBench) benchmark
27
+ (ICML 2026).
28
+
29
+ ## Dataset statistics
30
+
31
+ | Split | Structures |
32
+ |-------|----------:|
33
+ | Test | 27,638 |
34
+
35
+ **965 CATH topology (T-level) classes** — same label space as
36
+ [dexiongc/tedbench](https://huggingface.co/datasets/dexiongc/tedbench).
37
+
38
+ ## Schema
39
+
40
+ | Column | Type | Description |
41
+ |--------|------|-------------|
42
+ | `name` | `string` | PDB chain identifier in `<pdbid>.<chain>` format (e.g. `1abc.A`) |
43
+ | `sequence` | `string` | Amino-acid sequence (single-letter code) |
44
+ | `coords` | `[L, 3, 3]` float32 | Backbone N/Cα/C coordinates (Å) from experimental structure |
45
+ | `plddt` | `[L]` float32 | Per-residue confidence proxy (set to 100 for experimental structures) |
46
+ | `residue_index` | `[L]` int64 | Author residue number from the PDB file |
47
+ | `seq_ids` | `[L]` int64 | ESM-tokenised sequence IDs |
48
+ | `label` | `ClassLabel` | CATH topology class index (same label space as TEDBench) |
49
+
50
+ Protein identifiers follow the `<pdbid>.<chain>` convention (e.g. `1abc.A`),
51
+ matching the CATH domain annotation files. The `label` `ClassLabel` uses the
52
+ same CATH topology strings and integer indices as the TEDBench training set.
53
+
54
+ ## Usage
55
+
56
+ ### Load from HuggingFace
57
+
58
+ ```python
59
+ from datasets import load_dataset
60
+ import torch
61
+
62
+ cath = load_dataset("dexiongc/tedbench-cath", split="test")
63
+ sample = cath[0]
64
+
65
+ coords = torch.tensor(sample["coords"]) # [L, 3, 3]
66
+ label = sample["label"] # int index
67
+ cath_code = cath.features["label"].int2str(label)
68
+ ```
69
+
70
+ ### Use in TEDBench training scripts
71
+
72
+ ```bash
73
+ python main_test_ted.py datamodule=hf_cath_test pretrained_model_path=<ckpt>
74
+ ```
75
+
76
+ ## Source data
77
+
78
+ CATH 4.4 40 % non-redundant representative set from [CATHDB](https://www.cathdb.info/wiki?id=data:index). Structures fetched from
79
+ PDB-REDO / RCSB, quality-filtered, and converted to single-chain PDB files. The `plddt` column is set to
80
+ 100.0 for all residues (these are experimental structures, not AlphaFold
81
+ predictions).
82
+
83
+ ## Citation
84
+
85
+ ```bibtex
86
+ @inproceedings{chen2026tedbench,
87
+ title={Protein Fold Classification at Scale: Benchmarking and Pretraining},
88
+ author={Chen, Dexiong and Manolache, Andrei and Niepert, Mathias and Borgwardt, Karsten},
89
+ booktitle={Proceedings of the 43rd International Conference on Machine Learning (ICML)},
90
+ year={2026}
91
+ }
92
+ ```
93
+
94
+ ## License
95
+
96
+ BSD-3-Clause