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+ ---
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+ license: cc-by-4.0
3
+ configs:
4
+ - config_name: "cullpdb_pc15.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains281"
5
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains281.csv"
6
+ default: true
7
+ - config_name: "main"
8
+ data_files: "curated_csv/cullpdb_compiled.csv"
9
+ - config_name: "cullpdb_pc15.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains267"
10
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains267.csv"
11
+ - config_name: "cullpdb_pc15.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains785"
12
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains785.csv"
13
+ - config_name: "cullpdb_pc15.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains713"
14
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains713.csv"
15
+ - config_name: "cullpdb_pc15.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains1979"
16
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains1979.csv"
17
+ - config_name: "cullpdb_pc15.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains1782"
18
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains1782.csv"
19
+ - config_name: "cullpdb_pc15.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains3227"
20
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains3227.csv"
21
+ - config_name: "cullpdb_pc15.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2846"
22
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2846.csv"
23
+ - config_name: "cullpdb_pc15.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains4044"
24
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains4044.csv"
25
+ - config_name: "cullpdb_pc15.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3539"
26
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3539.csv"
27
+ - config_name: "cullpdb_pc15.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains4565"
28
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains4565.csv"
29
+ - config_name: "cullpdb_pc15.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3963"
30
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3963.csv"
31
+ - config_name: "cullpdb_pc15.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains5184"
32
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains5184.csv"
33
+ - config_name: "cullpdb_pc15.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4456"
34
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4456.csv"
35
+ - config_name: "cullpdb_pc15.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains5552"
36
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains5552.csv"
37
+ - config_name: "cullpdb_pc15.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4746"
38
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4746.csv"
39
+ - config_name: "cullpdb_pc15.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains5732"
40
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains5732.csv"
41
+ - config_name: "cullpdb_pc15.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4904"
42
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4904.csv"
43
+ - config_name: "cullpdb_pc15.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains7734"
44
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains7734.csv"
45
+ - config_name: "cullpdb_pc15.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains6642"
46
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains6642.csv"
47
+ - config_name: "cullpdb_pc15.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains8118"
48
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains8118.csv"
49
+ - config_name: "cullpdb_pc15.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains7087"
50
+ data_files: "curated_csv/subsets/cullpdb_pc15.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains7087.csv"
51
+ - config_name: "cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314"
52
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314.csv"
53
+ - config_name: "cullpdb_pc20.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains300"
54
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains300.csv"
55
+ - config_name: "cullpdb_pc20.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains988"
56
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains988.csv"
57
+ - config_name: "cullpdb_pc20.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains899"
58
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains899.csv"
59
+ - config_name: "cullpdb_pc20.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains2727"
60
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains2727.csv"
61
+ - config_name: "cullpdb_pc20.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2417"
62
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2417.csv"
63
+ - config_name: "cullpdb_pc20.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains4724"
64
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains4724.csv"
65
+ - config_name: "cullpdb_pc20.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains4107"
66
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains4107.csv"
67
+ - config_name: "cullpdb_pc20.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains6038"
68
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains6038.csv"
69
+ - config_name: "cullpdb_pc20.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5173"
70
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5173.csv"
71
+ - config_name: "cullpdb_pc20.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains6834"
72
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains6834.csv"
73
+ - config_name: "cullpdb_pc20.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5822"
74
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5822.csv"
75
+ - config_name: "cullpdb_pc20.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains7807"
76
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains7807.csv"
77
+ - config_name: "cullpdb_pc20.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains6601"
78
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains6601.csv"
79
+ - config_name: "cullpdb_pc20.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains8374"
80
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains8374.csv"
81
+ - config_name: "cullpdb_pc20.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7020"
82
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7020.csv"
83
+ - config_name: "cullpdb_pc20.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains8624"
84
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains8624.csv"
85
+ - config_name: "cullpdb_pc20.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7235"
86
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7235.csv"
87
+ - config_name: "cullpdb_pc20.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains11420"
88
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains11420.csv"
89
+ - config_name: "cullpdb_pc20.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains9498"
90
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains9498.csv"
91
+ - config_name: "cullpdb_pc20.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains11928"
92
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains11928.csv"
93
+ - config_name: "cullpdb_pc20.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains10067"
94
+ data_files: "curated_csv/subsets/cullpdb_pc20.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains10067.csv"
95
+ - config_name: "cullpdb_pc25.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains344"
96
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains344.csv"
97
+ - config_name: "cullpdb_pc25.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains330"
98
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains330.csv"
99
+ - config_name: "cullpdb_pc25.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1197"
100
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1197.csv"
101
+ - config_name: "cullpdb_pc25.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1085"
102
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1085.csv"
103
+ - config_name: "cullpdb_pc25.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains3750"
104
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains3750.csv"
105
+ - config_name: "cullpdb_pc25.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3260"
106
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3260.csv"
107
+ - config_name: "cullpdb_pc25.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains6908"
108
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains6908.csv"
109
+ - config_name: "cullpdb_pc25.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5910"
110
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5910.csv"
111
+ - config_name: "cullpdb_pc25.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains9107"
112
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains9107.csv"
113
+ - config_name: "cullpdb_pc25.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7677"
114
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7677.csv"
115
+ - config_name: "cullpdb_pc25.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains10438"
116
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains10438.csv"
117
+ - config_name: "cullpdb_pc25.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains8712"
118
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains8712.csv"
119
+ - config_name: "cullpdb_pc25.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains11959"
120
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains11959.csv"
121
+ - config_name: "cullpdb_pc25.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains9872"
122
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains9872.csv"
123
+ - config_name: "cullpdb_pc25.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains12868"
124
+ data_files: "curated_csv/subsets/cullpdb_pc25.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains12868.csv"
125
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+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains32020.csv"
381
+ - config_name: "cullpdb_pc80.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains25565"
382
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains25565.csv"
383
+ - config_name: "cullpdb_pc80.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains38601"
384
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains38601.csv"
385
+ - config_name: "cullpdb_pc80.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains30407"
386
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains30407.csv"
387
+ - config_name: "cullpdb_pc80.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains42500"
388
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains42500.csv"
389
+ - config_name: "cullpdb_pc80.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains33168"
390
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains33168.csv"
391
+ - config_name: "cullpdb_pc80.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains44213"
392
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains44213.csv"
393
+ - config_name: "cullpdb_pc80.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains34427"
394
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains34427.csv"
395
+ - config_name: "cullpdb_pc80.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains59055"
396
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains59055.csv"
397
+ - config_name: "cullpdb_pc80.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains46219"
398
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains46219.csv"
399
+ - config_name: "cullpdb_pc80.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains63258"
400
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains63258.csv"
401
+ - config_name: "cullpdb_pc80.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains50579"
402
+ data_files: "curated_csv/subsets/cullpdb_pc80.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains50579.csv"
403
+ - config_name: "cullpdb_pc90.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains481"
404
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains481.csv"
405
+ - config_name: "cullpdb_pc90.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains461"
406
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains461.csv"
407
+ - config_name: "cullpdb_pc90.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains2013"
408
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains2013.csv"
409
+ - config_name: "cullpdb_pc90.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1809"
410
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1809.csv"
411
+ - config_name: "cullpdb_pc90.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains8115"
412
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains8115.csv"
413
+ - config_name: "cullpdb_pc90.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains6976"
414
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains6976.csv"
415
+ - config_name: "cullpdb_pc90.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains19369"
416
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains19369.csv"
417
+ - config_name: "cullpdb_pc90.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains16017"
418
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains16017.csv"
419
+ - config_name: "cullpdb_pc90.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains28682"
420
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains28682.csv"
421
+ - config_name: "cullpdb_pc90.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains23132"
422
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains23132.csv"
423
+ - config_name: "cullpdb_pc90.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains34931"
424
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains34931.csv"
425
+ - config_name: "cullpdb_pc90.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains27803"
426
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains27803.csv"
427
+ - config_name: "cullpdb_pc90.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains42430"
428
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains42430.csv"
429
+ - config_name: "cullpdb_pc90.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains33268"
430
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains33268.csv"
431
+ - config_name: "cullpdb_pc90.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains47085"
432
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains47085.csv"
433
+ - config_name: "cullpdb_pc90.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains36580"
434
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains36580.csv"
435
+ - config_name: "cullpdb_pc90.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains49176"
436
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains49176.csv"
437
+ - config_name: "cullpdb_pc90.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains38102"
438
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains38102.csv"
439
+ - config_name: "cullpdb_pc90.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains67039"
440
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains67039.csv"
441
+ - config_name: "cullpdb_pc90.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains52384"
442
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains52384.csv"
443
+ - config_name: "cullpdb_pc90.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains71817"
444
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains71817.csv"
445
+ - config_name: "cullpdb_pc90.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains57240"
446
+ data_files: "curated_csv/subsets/cullpdb_pc90.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains57240.csv"
447
+ - config_name: "cullpdb_pc95.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains492"
448
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains492.csv"
449
+ - config_name: "cullpdb_pc95.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains472"
450
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains472.csv"
451
+ - config_name: "cullpdb_pc95.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains2071"
452
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains2071.csv"
453
+ - config_name: "cullpdb_pc95.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1862"
454
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1862.csv"
455
+ - config_name: "cullpdb_pc95.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains8423"
456
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains8423.csv"
457
+ - config_name: "cullpdb_pc95.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7238"
458
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7238.csv"
459
+ - config_name: "cullpdb_pc95.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains20373"
460
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains20373.csv"
461
+ - config_name: "cullpdb_pc95.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains16822"
462
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains16822.csv"
463
+ - config_name: "cullpdb_pc95.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains30443"
464
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains30443.csv"
465
+ - config_name: "cullpdb_pc95.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains24521"
466
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains24521.csv"
467
+ - config_name: "cullpdb_pc95.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains37259"
468
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains37259.csv"
469
+ - config_name: "cullpdb_pc95.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains29602"
470
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains29602.csv"
471
+ - config_name: "cullpdb_pc95.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains45632"
472
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains45632.csv"
473
+ - config_name: "cullpdb_pc95.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains35708"
474
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains35708.csv"
475
+ - config_name: "cullpdb_pc95.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains50986"
476
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains50986.csv"
477
+ - config_name: "cullpdb_pc95.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains39518"
478
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains39518.csv"
479
+ - config_name: "cullpdb_pc95.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains53418"
480
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains53418.csv"
481
+ - config_name: "cullpdb_pc95.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains41285"
482
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains41285.csv"
483
+ - config_name: "cullpdb_pc95.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains73728"
484
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains73728.csv"
485
+ - config_name: "cullpdb_pc95.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains57411"
486
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains57411.csv"
487
+ - config_name: "cullpdb_pc95.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains79005"
488
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains79005.csv"
489
+ - config_name: "cullpdb_pc95.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains62732"
490
+ data_files: "curated_csv/subsets/cullpdb_pc95.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains62732.csv"
491
+ ---
492
+ # PISCES-CulledPDB
493
+
494
+ Curated protein chain tables from PISCES/CullPDB: one row per chain with sequence and metadata.
495
+
496
+ **Dataset:** [PRMegathon26/PISCES-CulledPDB](https://huggingface.co/datasets/PRMegathon26/PISCES-CulledPDB)
497
+
498
+ Use the **subset dropdown** in the viewer to switch between the main table and 242 curation subsets.
499
+
500
+ ## Summary
501
+
502
+ | Item | Description |
503
+ |------|-------------|
504
+ | **Main CSV** | `curated_csv/cullpdb_compiled.csv` — 4,540,884 chains |
505
+ | **Subsets** | `curated_csv/subsets/*.csv` — 242 files (same columns) |
506
+ | **Index** | `curated_csv/cullpdb_list_fasta_index.csv` — 242 rows |
507
+
508
+ Full list of subset paths: `curated_csv/dataset_metadata.json` (keys `data_paths`, `subset_paths`).
509
+
510
+ ## Columns (chain CSVs)
511
+
512
+ | Column | Description |
513
+ |--------|-------------|
514
+ | **pdb_chain** | PDB chain ID (e.g. 1ABC_A) |
515
+ | **pdb** | PDB ID (first 4 chars) |
516
+ | **chain** | Chain ID |
517
+ | **sequence** | Amino acid sequence (one-letter) |
518
+ | **len** | Sequence length |
519
+ | **method** | Experimental method (e.g. XRAY, NMR) |
520
+ | **resolution** | Resolution in Å (per structure) |
521
+ | **rfac** | R-factor |
522
+ | **freerfac** | Free R-factor |
523
+ | **pc** | Sequence identity cutoff % used for this subset |
524
+ | **no_breaks** | Whether chain has no breaks (yes/no) |
525
+ | **R** | R-factor cutoff used for this subset |
526
+ | **source_list** | Subset list basename (identifies curation parameters) |
527
+
528
+ ## Index CSV columns
529
+
530
+ | Column | Description |
531
+ |--------|-------------|
532
+ | **list_basename** | Subset list basename |
533
+ | **fasta_basename** | Corresponding FASTA basename |
534
+ | **list_path** | Full path to list file |
535
+ | **fasta_path** | Full path to FASTA file |
536
+ | **n_chains** | Number of chains in this subset |
537
+ | **pc** | Sequence identity cutoff % |
538
+ | **resolution** | Resolution range (e.g. 0.0-2.0) |
539
+ | **no_breaks** | yes/no |
540
+ | **R** | R-factor cutoff |
541
+ | **Nmethods** | Experiment types (e.g. Xray, Xray+EM) |
542
+
543
+ ## Usage
544
+
545
+ ### Python
546
+
547
+ ```python
548
+ from huggingface_hub import hf_hub_download
549
+ import pandas as pd
550
+
551
+ path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/cullpdb_compiled.csv", repo_type="dataset")
552
+ df = pd.read_csv(path)
553
+ ```
554
+
555
+ ### Filter (filter_chains_csv.py)
556
+
557
+ From repo root after clone/download:
558
+
559
+ ```bash
560
+ python src/filter_chains_csv.py --input curated_csv/cullpdb_compiled.csv --output my_filtered.csv --pc 20 --resolution-max 2.0 --no-breaks yes --R 0.25
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+ ```
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+
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+ Options: `--pc`, `--pc-min`, `--pc-max`, `--resolution-min`, `--resolution-max`, `--no-breaks`, `--R`, `--method`, `--len-min`, `--len-max`.
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+
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+ ## License
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+
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+ cc-by-4.0