Update README.md

README.md

@@ -2,979 +2,19 @@
 viewer: true
 license: cc-by-4.0
 configs:
-  - config_name: "main"
+  - config_name: "train"
     data_files:
       - split: train
-        path: curated_csv/cullpdb_combined_chains.csv
+        path: cluster_assignments_train.csv
     default: true
-  - config_name: "cullpdb_pc15.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains281"
+  - config_name: "test"
     data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains281.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains267"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains267.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains785"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains785.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains713"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains713.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains1979"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains1979.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains1782"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains1782.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains3227"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains3227.csv
-  - config_name: "cullpdb_pc15.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2846"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2846.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains4044"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains4044.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3539"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3539.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains4565"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains4565.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3963"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3963.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains5184"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains5184.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4456"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4456.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains5552"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains5552.csv
-  - config_name: "cullpdb_pc15.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4746"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4746.csv
-  - config_name: "cullpdb_pc15.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains5732"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains5732.csv
-  - config_name: "cullpdb_pc15.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4904"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains4904.csv
-  - config_name: "cullpdb_pc15.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains7734"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains7734.csv
-  - config_name: "cullpdb_pc15.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains6642"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains6642.csv
-  - config_name: "cullpdb_pc15.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains8118"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains8118.csv
-  - config_name: "cullpdb_pc15.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains7087"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc15.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains7087.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains314.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains300"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains300.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains988"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains988.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains899"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains899.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains2727"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains2727.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2417"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains2417.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains4724"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains4724.csv
-  - config_name: "cullpdb_pc20.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains4107"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains4107.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains6038"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains6038.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5173"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5173.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains6834"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains6834.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5822"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5822.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains7807"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains7807.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains6601"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains6601.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains8374"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains8374.csv
-  - config_name: "cullpdb_pc20.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7020"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7020.csv
-  - config_name: "cullpdb_pc20.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains8624"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains8624.csv
-  - config_name: "cullpdb_pc20.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7235"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains7235.csv
-  - config_name: "cullpdb_pc20.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains11420"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains11420.csv
-  - config_name: "cullpdb_pc20.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains9498"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains9498.csv
-  - config_name: "cullpdb_pc20.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains11928"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains11928.csv
-  - config_name: "cullpdb_pc20.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains10067"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc20.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains10067.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains344"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains344.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains330"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains330.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1197"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1197.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1085"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1085.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains3750"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains3750.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3260"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3260.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains6908"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains6908.csv
-  - config_name: "cullpdb_pc25.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5910"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains5910.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains9107"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains9107.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7677"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7677.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains10438"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains10438.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains8712"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains8712.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains11959"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains11959.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains9872"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains9872.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains12868"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc25.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains12868.csv
-  - config_name: "cullpdb_pc25.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains10549"
-    data_files:
-      - split: train
-        path: 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_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains17141"
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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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-  - config_name: "cullpdb_pc25.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains17874"
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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_pc30.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains352"
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-  - config_name: "cullpdb_pc30.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1348"
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-  - config_name: "cullpdb_pc30.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1214"
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-  - config_name: "cullpdb_pc30.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains4606"
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-  - config_name: "cullpdb_pc30.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains3960"
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-  - config_name: "cullpdb_pc30.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains9131"
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-  - config_name: "cullpdb_pc30.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains7684"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains12311"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains10210"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains14270"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains11732"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains16494"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains13430"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains17762"
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-  - config_name: "cullpdb_pc30.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains14393"
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-  - config_name: "cullpdb_pc30.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains18307"
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-  - config_name: "cullpdb_pc30.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains14799"
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-  - config_name: "cullpdb_pc30.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains23385"
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-  - config_name: "cullpdb_pc30.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains18845"
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-  - config_name: "cullpdb_pc30.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains24496"
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-  - config_name: "cullpdb_pc30.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains20081"
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-  - config_name: "cullpdb_pc40.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains408"
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-  - config_name: "cullpdb_pc40.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains389"
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-  - config_name: "cullpdb_pc40.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1582"
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-  - config_name: "cullpdb_pc40.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains5825"
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-  - config_name: "cullpdb_pc40.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains10316"
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-  - config_name: "cullpdb_pc40.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains16618"
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-  - config_name: "cullpdb_pc40.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains26139"
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-  - config_name: "cullpdb_pc50.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains24777"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains24777.csv
-  - config_name: "cullpdb_pc50.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains19874"
+      - split: test
+        path: cluster_assignments_test.csv
+  - config_name: "validate"
     data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains19874.csv
-  - config_name: "cullpdb_pc50.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains29423"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains29423.csv
-  - config_name: "cullpdb_pc50.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains23335"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains23335.csv
-  - config_name: "cullpdb_pc50.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains32031"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains32031.csv
-  - config_name: "cullpdb_pc50.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains25223"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains25223.csv
-  - config_name: "cullpdb_pc50.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains33132"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains33132.csv
-  - config_name: "cullpdb_pc50.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains26037"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains26037.csv
-  - config_name: "cullpdb_pc50.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains42647"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains42647.csv
-  - config_name: "cullpdb_pc50.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains33484"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains33484.csv
-  - config_name: "cullpdb_pc50.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains45528"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains45528.csv
-  - config_name: "cullpdb_pc50.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains36537"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc50.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains36537.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains450"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains450.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains431"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains431.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1821"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1821.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1644"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1644.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains6978"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains6978.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains6013"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains6013.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains15864"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains15864.csv
-  - config_name: "cullpdb_pc60.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains13152"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains13152.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains23025"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains23025.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains18652"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains18652.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains27645"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains27645.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains22106"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains22106.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains33064"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains33064.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains26119"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains26119.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains36159"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains36159.csv
-  - config_name: "cullpdb_pc60.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains28315"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains28315.csv
-  - config_name: "cullpdb_pc60.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains37465"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains37465.csv
-  - config_name: "cullpdb_pc60.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains29270"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains29270.csv
-  - config_name: "cullpdb_pc60.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains48811"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains48811.csv
-  - config_name: "cullpdb_pc60.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains38153"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains38153.csv
-  - config_name: "cullpdb_pc60.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains52203"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains52203.csv
-  - config_name: "cullpdb_pc60.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains41721"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc60.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains41721.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains466"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains466.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains447"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains447.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1897"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1897.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1709"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1709.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains7349"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains7349.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains6331"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.5_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains6331.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains16975"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.8_len40-10000_R0.25_Xray_d2026_01_26_chains16975.csv
-  - config_name: "cullpdb_pc70.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains14102"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-1.8_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains14102.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains24807"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.0_len40-10000_R0.25_Xray_d2026_01_26_chains24807.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains20097"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.0_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains20097.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains29933"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.2_len40-10000_R0.25_Xray_d2026_01_26_chains29933.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains23917"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.2_noBrks_len40-10000_R0.25_Xray_d2026_01_26_chains23917.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains35951"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.5_len40-10000_R0.3_Xray_d2026_01_26_chains35951.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains28366"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.5_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains28366.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains39437"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.8_len40-10000_R0.3_Xray_d2026_01_26_chains39437.csv
-  - config_name: "cullpdb_pc70.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains30819"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-2.8_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains30819.csv
-  - config_name: "cullpdb_pc70.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains40941"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-3.0_len40-10000_R0.3_Xray_d2026_01_26_chains40941.csv
-  - config_name: "cullpdb_pc70.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains31914"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-3.0_noBrks_len40-10000_R0.3_Xray_d2026_01_26_chains31914.csv
-  - config_name: "cullpdb_pc70.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains53902"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-4.0_len40-10000_R1.0_Xray+EM_d2026_01_26_chains53902.csv
-  - config_name: "cullpdb_pc70.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains42126"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-4.0_noBrks_len40-10000_R1.0_Xray+EM_d2026_01_26_chains42126.csv
-  - config_name: "cullpdb_pc70.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains57709"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-5.0_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains57709.csv
-  - config_name: "cullpdb_pc70.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains46100"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc70.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains46100.csv
-  - config_name: "cullpdb_pc80.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains472"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc80.0_res0.0-1.0_len40-10000_R0.2_Xray_d2026_01_26_chains472.csv
-  - config_name: "cullpdb_pc80.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains453"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc80.0_res0.0-1.0_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains453.csv
-  - config_name: "cullpdb_pc80.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1949"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc80.0_res0.0-1.2_len40-10000_R0.2_Xray_d2026_01_26_chains1949.csv
-  - config_name: "cullpdb_pc80.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1752"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc80.0_res0.0-1.2_noBrks_len40-10000_R0.2_Xray_d2026_01_26_chains1752.csv
-  - config_name: "cullpdb_pc80.0_res0.0-1.5_len40-10000_R0.25_Xray_d2026_01_26_chains7681"
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-  - config_name: "cullpdb_pc95.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains62732"
-    data_files:
-      - split: train
-        path: curated_csv/subsets/cullpdb_pc95.0_res0.0-5.0_noBrks_len40-10000_R1.0_Xray+Nmr+EM_d2026_01_26_chains62732.csv
+      - split: validate
+        path: cluster_assignments_validate.csv
 task_categories:
   - other
 tags: