Upload dataset
Browse files- 4.3/train-00000-of-00001.parquet +3 -0
- README.md +607 -10
4.3/train-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:ec79bd4d6bbe93bef1962fb44f3a5e15348155468f85d754a9e007e9fd2df835
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size 119792913
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README.md
CHANGED
@@ -1,6 +1,6 @@
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---
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dataset_info:
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-
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features:
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- name: backbone
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struct:
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@@ -599,13 +599,610 @@ dataset_info:
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dtype: string
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- name: CATH
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dtype: string
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|
611 |
---
|
|
|
1 |
---
|
2 |
dataset_info:
|
3 |
+
- config_name: '4.2'
|
4 |
features:
|
5 |
- name: backbone
|
6 |
struct:
|
|
|
599 |
dtype: string
|
600 |
- name: CATH
|
601 |
dtype: string
|
602 |
+
- config_name: '4.3'
|
603 |
+
features:
|
604 |
+
- name: backbone
|
605 |
+
struct:
|
606 |
+
- name: coords
|
607 |
+
dtype:
|
608 |
+
array2_d:
|
609 |
+
shape:
|
610 |
+
- null
|
611 |
+
- 3
|
612 |
+
dtype: float32
|
613 |
+
- name: restype_index
|
614 |
+
dtype:
|
615 |
+
array1_d:
|
616 |
+
shape:
|
617 |
+
- null
|
618 |
+
dtype: uint8
|
619 |
+
- name: chain_id
|
620 |
+
dtype:
|
621 |
+
array1_d:
|
622 |
+
shape:
|
623 |
+
- null
|
624 |
+
dtype: string
|
625 |
+
- name: atom_name
|
626 |
+
dtype:
|
627 |
+
array1_d:
|
628 |
+
shape:
|
629 |
+
- null
|
630 |
+
dtype: string
|
631 |
+
- name: residue_starts
|
632 |
+
dtype:
|
633 |
+
array1_d:
|
634 |
+
shape:
|
635 |
+
- null
|
636 |
+
dtype: uint32
|
637 |
+
- name: hetero
|
638 |
+
dtype:
|
639 |
+
array1_d:
|
640 |
+
shape:
|
641 |
+
- null
|
642 |
+
dtype: bool
|
643 |
+
- name: element
|
644 |
+
dtype:
|
645 |
+
array1_d:
|
646 |
+
shape:
|
647 |
+
- null
|
648 |
+
dtype: string
|
649 |
+
- name: num_chains
|
650 |
+
dtype: int32
|
651 |
+
- name: name
|
652 |
+
dtype: string
|
653 |
+
- name: CATH
|
654 |
+
dtype: string
|
655 |
+
splits:
|
656 |
+
- name: train
|
657 |
+
num_bytes: 441739545.0
|
658 |
+
num_examples: 16699
|
659 |
+
download_size: 119792913
|
660 |
+
dataset_size: 441739545.0
|
661 |
+
bio_features:
|
662 |
+
- name: backbone
|
663 |
+
dtype:
|
664 |
+
protein_atom_array_feature:
|
665 |
+
residue_dictionary:
|
666 |
+
residue_names:
|
667 |
+
- ALA
|
668 |
+
- ARG
|
669 |
+
- ASN
|
670 |
+
- ASP
|
671 |
+
- CYS
|
672 |
+
- GLN
|
673 |
+
- GLU
|
674 |
+
- GLY
|
675 |
+
- HIS
|
676 |
+
- ILE
|
677 |
+
- LEU
|
678 |
+
- LYS
|
679 |
+
- MET
|
680 |
+
- PHE
|
681 |
+
- PRO
|
682 |
+
- SER
|
683 |
+
- THR
|
684 |
+
- TRP
|
685 |
+
- TYR
|
686 |
+
- UNK
|
687 |
+
- VAL
|
688 |
+
residue_letters:
|
689 |
+
- A
|
690 |
+
- R
|
691 |
+
- N
|
692 |
+
- D
|
693 |
+
- C
|
694 |
+
- Q
|
695 |
+
- E
|
696 |
+
- G
|
697 |
+
- H
|
698 |
+
- I
|
699 |
+
- L
|
700 |
+
- K
|
701 |
+
- M
|
702 |
+
- F
|
703 |
+
- P
|
704 |
+
- S
|
705 |
+
- T
|
706 |
+
- W
|
707 |
+
- Y
|
708 |
+
- X
|
709 |
+
- V
|
710 |
+
residue_atoms:
|
711 |
+
ALA:
|
712 |
+
- N
|
713 |
+
- CA
|
714 |
+
- C
|
715 |
+
- O
|
716 |
+
- CB
|
717 |
+
ARG:
|
718 |
+
- N
|
719 |
+
- CA
|
720 |
+
- C
|
721 |
+
- O
|
722 |
+
- CB
|
723 |
+
- CG
|
724 |
+
- CD
|
725 |
+
- NE
|
726 |
+
- CZ
|
727 |
+
- NH1
|
728 |
+
- NH2
|
729 |
+
ASN:
|
730 |
+
- N
|
731 |
+
- CA
|
732 |
+
- C
|
733 |
+
- O
|
734 |
+
- CB
|
735 |
+
- CG
|
736 |
+
- OD1
|
737 |
+
- ND2
|
738 |
+
ASP:
|
739 |
+
- N
|
740 |
+
- CA
|
741 |
+
- C
|
742 |
+
- O
|
743 |
+
- CB
|
744 |
+
- CG
|
745 |
+
- OD1
|
746 |
+
- OD2
|
747 |
+
CYS:
|
748 |
+
- N
|
749 |
+
- CA
|
750 |
+
- C
|
751 |
+
- O
|
752 |
+
- CB
|
753 |
+
- SG
|
754 |
+
GLN:
|
755 |
+
- N
|
756 |
+
- CA
|
757 |
+
- C
|
758 |
+
- O
|
759 |
+
- CB
|
760 |
+
- CG
|
761 |
+
- CD
|
762 |
+
- OE1
|
763 |
+
- NE2
|
764 |
+
GLU:
|
765 |
+
- N
|
766 |
+
- CA
|
767 |
+
- C
|
768 |
+
- O
|
769 |
+
- CB
|
770 |
+
- CG
|
771 |
+
- CD
|
772 |
+
- OE1
|
773 |
+
- OE2
|
774 |
+
GLY:
|
775 |
+
- N
|
776 |
+
- CA
|
777 |
+
- C
|
778 |
+
- O
|
779 |
+
HIS:
|
780 |
+
- N
|
781 |
+
- CA
|
782 |
+
- C
|
783 |
+
- O
|
784 |
+
- CB
|
785 |
+
- CG
|
786 |
+
- ND1
|
787 |
+
- CD2
|
788 |
+
- CE1
|
789 |
+
- NE2
|
790 |
+
ILE:
|
791 |
+
- N
|
792 |
+
- CA
|
793 |
+
- C
|
794 |
+
- O
|
795 |
+
- CB
|
796 |
+
- CG1
|
797 |
+
- CG2
|
798 |
+
- CD1
|
799 |
+
LEU:
|
800 |
+
- N
|
801 |
+
- CA
|
802 |
+
- C
|
803 |
+
- O
|
804 |
+
- CB
|
805 |
+
- CG
|
806 |
+
- CD1
|
807 |
+
- CD2
|
808 |
+
LYS:
|
809 |
+
- N
|
810 |
+
- CA
|
811 |
+
- C
|
812 |
+
- O
|
813 |
+
- CB
|
814 |
+
- CG
|
815 |
+
- CD
|
816 |
+
- CE
|
817 |
+
- NZ
|
818 |
+
MET:
|
819 |
+
- N
|
820 |
+
- CA
|
821 |
+
- C
|
822 |
+
- O
|
823 |
+
- CB
|
824 |
+
- CG
|
825 |
+
- SD
|
826 |
+
- CE
|
827 |
+
PHE:
|
828 |
+
- N
|
829 |
+
- CA
|
830 |
+
- C
|
831 |
+
- O
|
832 |
+
- CB
|
833 |
+
- CG
|
834 |
+
- CD1
|
835 |
+
- CD2
|
836 |
+
- CE1
|
837 |
+
- CE2
|
838 |
+
- CZ
|
839 |
+
PRO:
|
840 |
+
- N
|
841 |
+
- CA
|
842 |
+
- C
|
843 |
+
- O
|
844 |
+
- CB
|
845 |
+
- CG
|
846 |
+
- CD
|
847 |
+
SER:
|
848 |
+
- N
|
849 |
+
- CA
|
850 |
+
- C
|
851 |
+
- O
|
852 |
+
- CB
|
853 |
+
- OG
|
854 |
+
THR:
|
855 |
+
- N
|
856 |
+
- CA
|
857 |
+
- C
|
858 |
+
- O
|
859 |
+
- CB
|
860 |
+
- OG1
|
861 |
+
- CG2
|
862 |
+
TRP:
|
863 |
+
- N
|
864 |
+
- CA
|
865 |
+
- C
|
866 |
+
- O
|
867 |
+
- CB
|
868 |
+
- CG
|
869 |
+
- CD1
|
870 |
+
- CD2
|
871 |
+
- NE1
|
872 |
+
- CE2
|
873 |
+
- CE3
|
874 |
+
- CZ2
|
875 |
+
- CZ3
|
876 |
+
- CH2
|
877 |
+
TYR:
|
878 |
+
- N
|
879 |
+
- CA
|
880 |
+
- C
|
881 |
+
- O
|
882 |
+
- CB
|
883 |
+
- CG
|
884 |
+
- CD1
|
885 |
+
- CD2
|
886 |
+
- CE1
|
887 |
+
- CE2
|
888 |
+
- CZ
|
889 |
+
- OH
|
890 |
+
UNK:
|
891 |
+
- N
|
892 |
+
- CA
|
893 |
+
- C
|
894 |
+
- O
|
895 |
+
- CB
|
896 |
+
- CG
|
897 |
+
VAL:
|
898 |
+
- N
|
899 |
+
- CA
|
900 |
+
- C
|
901 |
+
- O
|
902 |
+
- CB
|
903 |
+
- CG1
|
904 |
+
- CG2
|
905 |
+
residue_elements:
|
906 |
+
ALA:
|
907 |
+
- N
|
908 |
+
- C
|
909 |
+
- C
|
910 |
+
- O
|
911 |
+
- C
|
912 |
+
ARG:
|
913 |
+
- N
|
914 |
+
- C
|
915 |
+
- C
|
916 |
+
- O
|
917 |
+
- C
|
918 |
+
- C
|
919 |
+
- C
|
920 |
+
- N
|
921 |
+
- C
|
922 |
+
- N
|
923 |
+
- N
|
924 |
+
ASN:
|
925 |
+
- N
|
926 |
+
- C
|
927 |
+
- C
|
928 |
+
- O
|
929 |
+
- C
|
930 |
+
- C
|
931 |
+
- O
|
932 |
+
- N
|
933 |
+
ASP:
|
934 |
+
- N
|
935 |
+
- C
|
936 |
+
- C
|
937 |
+
- O
|
938 |
+
- C
|
939 |
+
- C
|
940 |
+
- O
|
941 |
+
- O
|
942 |
+
CYS:
|
943 |
+
- N
|
944 |
+
- C
|
945 |
+
- C
|
946 |
+
- O
|
947 |
+
- C
|
948 |
+
- S
|
949 |
+
GLN:
|
950 |
+
- N
|
951 |
+
- C
|
952 |
+
- C
|
953 |
+
- O
|
954 |
+
- C
|
955 |
+
- C
|
956 |
+
- C
|
957 |
+
- O
|
958 |
+
- N
|
959 |
+
GLU:
|
960 |
+
- N
|
961 |
+
- C
|
962 |
+
- C
|
963 |
+
- O
|
964 |
+
- C
|
965 |
+
- C
|
966 |
+
- C
|
967 |
+
- O
|
968 |
+
- O
|
969 |
+
GLY:
|
970 |
+
- N
|
971 |
+
- C
|
972 |
+
- C
|
973 |
+
- O
|
974 |
+
HIS:
|
975 |
+
- N
|
976 |
+
- C
|
977 |
+
- C
|
978 |
+
- O
|
979 |
+
- C
|
980 |
+
- C
|
981 |
+
- N
|
982 |
+
- C
|
983 |
+
- C
|
984 |
+
- N
|
985 |
+
ILE:
|
986 |
+
- N
|
987 |
+
- C
|
988 |
+
- C
|
989 |
+
- O
|
990 |
+
- C
|
991 |
+
- C
|
992 |
+
- C
|
993 |
+
- C
|
994 |
+
LEU:
|
995 |
+
- N
|
996 |
+
- C
|
997 |
+
- C
|
998 |
+
- O
|
999 |
+
- C
|
1000 |
+
- C
|
1001 |
+
- C
|
1002 |
+
- C
|
1003 |
+
LYS:
|
1004 |
+
- N
|
1005 |
+
- C
|
1006 |
+
- C
|
1007 |
+
- O
|
1008 |
+
- C
|
1009 |
+
- C
|
1010 |
+
- C
|
1011 |
+
- C
|
1012 |
+
- N
|
1013 |
+
MET:
|
1014 |
+
- N
|
1015 |
+
- C
|
1016 |
+
- C
|
1017 |
+
- O
|
1018 |
+
- C
|
1019 |
+
- C
|
1020 |
+
- S
|
1021 |
+
- C
|
1022 |
+
PHE:
|
1023 |
+
- N
|
1024 |
+
- C
|
1025 |
+
- C
|
1026 |
+
- O
|
1027 |
+
- C
|
1028 |
+
- C
|
1029 |
+
- C
|
1030 |
+
- C
|
1031 |
+
- C
|
1032 |
+
- C
|
1033 |
+
- C
|
1034 |
+
PRO:
|
1035 |
+
- N
|
1036 |
+
- C
|
1037 |
+
- C
|
1038 |
+
- O
|
1039 |
+
- C
|
1040 |
+
- C
|
1041 |
+
- C
|
1042 |
+
SER:
|
1043 |
+
- N
|
1044 |
+
- C
|
1045 |
+
- C
|
1046 |
+
- O
|
1047 |
+
- C
|
1048 |
+
- O
|
1049 |
+
THR:
|
1050 |
+
- N
|
1051 |
+
- C
|
1052 |
+
- C
|
1053 |
+
- O
|
1054 |
+
- C
|
1055 |
+
- O
|
1056 |
+
- C
|
1057 |
+
TRP:
|
1058 |
+
- N
|
1059 |
+
- C
|
1060 |
+
- C
|
1061 |
+
- O
|
1062 |
+
- C
|
1063 |
+
- C
|
1064 |
+
- C
|
1065 |
+
- C
|
1066 |
+
- N
|
1067 |
+
- C
|
1068 |
+
- C
|
1069 |
+
- C
|
1070 |
+
- C
|
1071 |
+
- C
|
1072 |
+
TYR:
|
1073 |
+
- N
|
1074 |
+
- C
|
1075 |
+
- C
|
1076 |
+
- O
|
1077 |
+
- C
|
1078 |
+
- C
|
1079 |
+
- C
|
1080 |
+
- C
|
1081 |
+
- C
|
1082 |
+
- C
|
1083 |
+
- C
|
1084 |
+
- O
|
1085 |
+
UNK:
|
1086 |
+
- N
|
1087 |
+
- C
|
1088 |
+
- C
|
1089 |
+
- O
|
1090 |
+
- C
|
1091 |
+
- C
|
1092 |
+
VAL:
|
1093 |
+
- N
|
1094 |
+
- C
|
1095 |
+
- C
|
1096 |
+
- O
|
1097 |
+
- C
|
1098 |
+
- C
|
1099 |
+
- C
|
1100 |
+
unknown_residue_name: UNK
|
1101 |
+
atom_types:
|
1102 |
+
- N
|
1103 |
+
- CA
|
1104 |
+
- C
|
1105 |
+
- CB
|
1106 |
+
- O
|
1107 |
+
- CG
|
1108 |
+
- CG1
|
1109 |
+
- CG2
|
1110 |
+
- OG
|
1111 |
+
- OG1
|
1112 |
+
- SG
|
1113 |
+
- CD
|
1114 |
+
- CD1
|
1115 |
+
- CD2
|
1116 |
+
- ND1
|
1117 |
+
- ND2
|
1118 |
+
- OD1
|
1119 |
+
- OD2
|
1120 |
+
- SD
|
1121 |
+
- CE
|
1122 |
+
- CE1
|
1123 |
+
- CE2
|
1124 |
+
- CE3
|
1125 |
+
- NE
|
1126 |
+
- NE1
|
1127 |
+
- NE2
|
1128 |
+
- OE1
|
1129 |
+
- OE2
|
1130 |
+
- CH2
|
1131 |
+
- NH1
|
1132 |
+
- NH2
|
1133 |
+
- OH
|
1134 |
+
- CZ
|
1135 |
+
- CZ2
|
1136 |
+
- CZ3
|
1137 |
+
- NZ
|
1138 |
+
- OXT
|
1139 |
+
element_types:
|
1140 |
+
- C
|
1141 |
+
- N
|
1142 |
+
- O
|
1143 |
+
- S
|
1144 |
+
residue_categories:
|
1145 |
+
ALA: protein
|
1146 |
+
ARG: protein
|
1147 |
+
ASN: protein
|
1148 |
+
ASP: protein
|
1149 |
+
CYS: protein
|
1150 |
+
GLN: protein
|
1151 |
+
GLU: protein
|
1152 |
+
GLY: protein
|
1153 |
+
HIS: protein
|
1154 |
+
ILE: protein
|
1155 |
+
LEU: protein
|
1156 |
+
LYS: protein
|
1157 |
+
MET: protein
|
1158 |
+
PHE: protein
|
1159 |
+
PRO: protein
|
1160 |
+
SER: protein
|
1161 |
+
THR: protein
|
1162 |
+
TRP: protein
|
1163 |
+
TYR: protein
|
1164 |
+
UNK: protein
|
1165 |
+
VAL: protein
|
1166 |
+
backbone_atoms:
|
1167 |
+
- N
|
1168 |
+
- CA
|
1169 |
+
- C
|
1170 |
+
- O
|
1171 |
+
conversions:
|
1172 |
+
- residue: MSE
|
1173 |
+
to_residue: MET
|
1174 |
+
atom_swaps:
|
1175 |
+
- - SE
|
1176 |
+
- SD
|
1177 |
+
element_swaps:
|
1178 |
+
- - SE
|
1179 |
+
- S
|
1180 |
+
- residue: SEC
|
1181 |
+
to_residue: CYS
|
1182 |
+
atom_swaps:
|
1183 |
+
- - SE
|
1184 |
+
- SG
|
1185 |
+
element_swaps:
|
1186 |
+
- - SE
|
1187 |
+
- S
|
1188 |
+
backbone_only: true
|
1189 |
+
- name: num_chains
|
1190 |
+
dtype: int32
|
1191 |
+
- name: name
|
1192 |
+
dtype: string
|
1193 |
+
- name: CATH
|
1194 |
+
dtype: string
|
1195 |
+
configs:
|
1196 |
+
- config_name: '4.2'
|
1197 |
+
data_files:
|
1198 |
+
- split: test
|
1199 |
+
path: 4.2/test-*
|
1200 |
+
- split: train
|
1201 |
+
path: 4.2/train-*
|
1202 |
+
- split: validation
|
1203 |
+
path: 4.2/validation-*
|
1204 |
+
- config_name: '4.3'
|
1205 |
+
data_files:
|
1206 |
+
- split: train
|
1207 |
+
path: 4.3/train-*
|
1208 |
---
|