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- ---
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- # Dataset Viewer: configs first so the viewer shows the table and subset dropdown
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- viewer: true
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- # Dataset Viewer dropdown; default = small subset so preview loads (main has 4.5M rows)
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- configs:
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- - config_name: cullpdb_pc15.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains281
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains281.csv
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- default: true
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- - config_name: cullpdb_pc15.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains267
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains267.csv
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- - config_name: cullpdb_pc15.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains785
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains785.csv
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- - config_name: cullpdb_pc15.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains713
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains713.csv
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- - config_name: cullpdb_pc15.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains1979
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains1979.csv
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- - config_name: cullpdb_pc15.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains1782
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains1782.csv
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- - config_name: cullpdb_pc15.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains3227
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains3227.csv
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- - config_name: cullpdb_pc15.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2846
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2846.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains4044
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains4044.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3539
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3539.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains4565
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains4565.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3963
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3963.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains5184
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains5184.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4456
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4456.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains5552
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains5552.csv
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- - config_name: cullpdb_pc15.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4746
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4746.csv
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- - config_name: cullpdb_pc15.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains5732
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains5732.csv
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- - config_name: cullpdb_pc15.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4904
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4904.csv
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- - config_name: cullpdb_pc15.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains7734
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains7734.csv
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- - config_name: cullpdb_pc15.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains6642
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains6642.csv
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- - config_name: cullpdb_pc15.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains8118
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- data_files: curated_csv/subsets/cullpdb_pc15.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains8118.csv
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- - config_name: cullpdb_pc15.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains7087
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- 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
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- - config_name: cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains300
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains300.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains988
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains988.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains899
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains899.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains2727
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains2727.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2417
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2417.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains4724
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains4724.csv
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- - config_name: cullpdb_pc20.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains4107
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains4107.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains6038
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains6038.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5173
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5173.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains6834
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains6834.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5822
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5822.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains7807
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains7807.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains6601
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains6601.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains8374
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains8374.csv
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- - config_name: cullpdb_pc20.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7020
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7020.csv
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- - config_name: cullpdb_pc20.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains8624
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains8624.csv
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- - config_name: cullpdb_pc20.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7235
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7235.csv
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- - config_name: cullpdb_pc20.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains11420
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains11420.csv
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- - config_name: cullpdb_pc20.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains9498
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains9498.csv
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- - config_name: cullpdb_pc20.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains11928
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- data_files: curated_csv/subsets/cullpdb_pc20.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains11928.csv
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- - config_name: cullpdb_pc20.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains10067
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- 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
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- - config_name: cullpdb_pc25.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains344
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains344.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains330
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains330.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1197
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1197.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1085
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1085.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains3750
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains3750.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3260
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3260.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains6908
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains6908.csv
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- - config_name: cullpdb_pc25.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5910
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5910.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains9107
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains9107.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7677
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7677.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains10438
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains10438.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains8712
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains8712.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains11959
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains11959.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains9872
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains9872.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains12868
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains12868.csv
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- - config_name: cullpdb_pc25.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains10549
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains10549.csv
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- - config_name: cullpdb_pc25.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains13253
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains13253.csv
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- - config_name: cullpdb_pc25.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains10856
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains10856.csv
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- - config_name: cullpdb_pc25.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains17141
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains17141.csv
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- - config_name: cullpdb_pc25.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains13992
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains13992.csv
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- - config_name: cullpdb_pc25.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains17874
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- data_files: curated_csv/subsets/cullpdb_pc25.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains17874.csv
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- - config_name: cullpdb_pc25.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains14796
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- - 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
- license: cc-by-4.0
492
- task_categories:
493
- - other
494
- tags:
495
- - biology
496
- - protein
497
- - structure
498
- - PDB
499
- - PISCES
500
- - CullPDB
501
- - sequence
502
- - curation
503
- language: en
504
- size_categories:
505
- - n>1M
506
- dataset_info:
507
- config_name: main
508
- features:
509
- - name: pdb_chain
510
- dtype: string
511
- - name: pdb
512
- dtype: string
513
- - name: chain
514
- dtype: string
515
- - name: sequence
516
- dtype: string
517
- - name: len
518
- dtype: int64
519
- - name: method
520
- dtype: string
521
- - name: resolution
522
- dtype: float64
523
- - name: rfac
524
- dtype: string
525
- - name: freerfac
526
- dtype: string
527
- - name: pc
528
- dtype: float64
529
- - name: no_breaks
530
- dtype: string
531
- - name: R
532
- dtype: float64
533
- - name: source_list
534
- dtype: string
535
- splits: null
536
- num_rows: 4540884
537
- # Main and index paths; full list of subset paths is in dataset_metadata.json
538
- data_paths:
539
- main_csv: curated_csv/cullpdb_combined_chains.csv
540
- index_csv: curated_csv/cullpdb_list_fasta_index.csv
541
- full_list_csv: curated_csv/cullpdb_full_compiled_list.csv
542
- subsets_dir: curated_csv/subsets
543
- metadata: curated_csv/dataset_metadata.json
544
- ---
545
-
546
- # PISCES-CulledPDB — Curated chain CSVs
547
-
548
- Curated protein chain tables derived from PISCES/CullPDB-style lists and FASTA files. One row per chain with sequence, metadata, and curation parameters.
549
-
550
- **Dataset:** [PRMegathon26/PISCES-CulledPDB](https://huggingface.co/datasets/PRMegathon26/PISCES-CulledPDB)
551
-
552
- On the dataset page, use the **subset dropdown** above the table to switch between the main combined table and any of the **242** curation subsets (same columns, different filters).
553
-
554
- ## Dataset Summary
555
-
556
- | Item | Description |
557
- |------|-------------|
558
- | **Main CSV** | `curated_csv/cullpdb_combined_chains.csv` — single table with **4,540,884** chains (one row per chain). |
559
- | **Subset CSVs** | `curated_csv/subsets/*.csv` — **242** files, one per curation subset (same columns as main). |
560
- | **Index** | `curated_csv/cullpdb_list_fasta_index.csv` — **242** rows; maps subset basenames to list/FASTA paths and parameters. |
561
-
562
- ## Data paths (metadata)
563
-
564
- **Main and index files:**
565
- - `curated_csv/cullpdb_combined_chains.csv` — master chain table
566
- - `curated_csv/cullpdb_list_fasta_index.csv` — subset index
567
- - `curated_csv/cullpdb_full_compiled_list.csv` — full compiled list
568
- - `curated_csv/subsets/` — directory containing one CSV per subset (**242** files)
569
-
570
- **Subset paths:** The full list of subset CSV paths is in **`curated_csv/dataset_metadata.json`** (keys `data_paths` and `subset_paths`). Use it for programmatic listing or with `hf_hub_download(..., filename=path)`.
571
-
572
- ## Main CSV & Subset CSV — Column definitions
573
-
574
- Each chain row has the following columns:
575
-
576
- | Column | Type | Description |
577
- |--------|------|-------------|
578
- | **pdb_chain** | string/number | PDB chain ID (e.g. 1ABC_A) |
579
- | **pdb** | string/number | PDB ID (first 4 chars) |
580
- | **chain** | string/number | Chain ID |
581
- | **sequence** | string/number | Amino acid sequence (one-letter) |
582
- | **len** | string/number | Sequence length |
583
- | **method** | string/number | Experimental method (e.g. XRAY, NMR) |
584
- | **resolution** | string/number | Resolution in Å (per structure) |
585
- | **rfac** | string/number | R-factor |
586
- | **freerfac** | string/number | Free R-factor |
587
- | **pc** | string/number | Sequence identity cutoff % used for this subset |
588
- | **no_breaks** | string/number | Whether chain has no breaks (yes/no) |
589
- | **R** | string/number | R-factor cutoff used for this subset |
590
- | **source_list** | string/number | Subset list basename (identifies curation parameters) |
591
-
592
- Subset CSVs use the same schema; each file corresponds to one row in the index (one set of parameters: pc, resolution range, no_breaks, R, Nmethods).
593
-
594
- ## Index CSV — Column definitions
595
-
596
- | Column | Description |
597
- |--------|-------------|
598
- | **list_basename** | Subset list basename |
599
- | **fasta_basename** | Corresponding FASTA basename |
600
- | **list_path** | Full path to list file |
601
- | **fasta_path** | Full path to FASTA file |
602
- | **n_chains** | Number of chains in this subset |
603
- | **pc** | Sequence identity cutoff % |
604
- | **resolution** | Resolution range (e.g. 0.0-2.0) |
605
- | **no_breaks** | yes/no |
606
- | **R** | R-factor cutoff |
607
- | **Nmethods** | Experiment types (e.g. Xray, Xray+EM) |
608
-
609
- ## Subset naming
610
-
611
- Subset list basenames follow:
612
-
613
- `cullpdb_pc{pc}_res{min}-{max}_[noBrks_]len40-10000_R{R}_{Nmethods}_..._chains{N}`
614
-
615
- - **pc**: sequence identity cutoff (%)
616
- - **resolution**: Å range (e.g. 0.0–2.0)
617
- - **noBrks** (optional): no breaks in chain
618
- - **R**: R-factor cutoff
619
- - **Nmethods**: Xray, Xray+EM, or Xray+Nmr+EM
620
- - **N**: number of chains in that subset
621
-
622
- ## Usage
623
-
624
- ### Load in Python
625
-
626
- ```python
627
- from huggingface_hub import hf_hub_download
628
- import pandas as pd
629
-
630
- # Download main CSV (large)
631
- path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/cullpdb_combined_chains.csv", repo_type="dataset")
632
- df = pd.read_csv(path)
633
-
634
- # Or load a single subset
635
- path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314.csv", repo_type="dataset")
636
- df = pd.read_csv(path)
637
- ```
638
-
639
- ### Filter chains (filter_chains_csv.py)
640
-
641
- After downloading the repo or the main/subset CSVs, run the filter script to build a custom CSV by pc, resolution, no_breaks, R, method, and length:
642
-
643
- ```bash
644
- # From the repo root (e.g. after git clone or having curated_csv/ locally)
645
- python src/filter_chains_csv.py --input curated_csv/cullpdb_combined_chains.csv --output my_filtered.csv \
646
- --pc 20 --resolution-max 2.0 --no-breaks yes --R 0.25
647
-
648
- # Or filter a subset directory (merges all subset CSVs then filters)
649
- python src/filter_chains_csv.py --input curated_csv/subsets --output high_res.csv \
650
- --resolution-max 1.5 --len-min 100
651
- ```
652
-
653
- Options: `--pc`, `--pc-min`, `--pc-max`, `--resolution-min`, `--resolution-max`, `--no-breaks` (yes/no), `--R`, `--method`, `--len-min`, `--len-max`. Omit a filter to leave that dimension unrestricted.
654
-
655
- ## Curation workflow
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- 1. **Index**: List/FASTA pairs scanned → `cullpdb_list_fasta_index.csv`
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- 2. **Build**: For each index row, list and FASTA aligned 1:1 → one chain CSV per subset + combined master CSV
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- 3. **Filter/visualize**: Optional filtering and summary figures from the master CSV
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- ## License
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- CC BY 4.0 (or as specified in the repo).