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README.md
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@@ -5,7 +5,7 @@ configs:
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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: "main"
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data_files: "curated_csv/
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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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@@ -501,7 +501,7 @@ Use the **subset dropdown** in the viewer to switch between the main table and 2
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| Item | Description |
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|------|-------------|
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| **Main CSV** | `curated_csv/
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| **Subsets** | `curated_csv/subsets/*.csv` — 242 files (same columns) |
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| **Index** | `curated_csv/cullpdb_list_fasta_index.csv` — 242 rows |
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from huggingface_hub import hf_hub_download
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import pandas as pd
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path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/
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df = pd.read_csv(path)
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```
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From repo root after clone/download:
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```bash
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python src/filter_chains_csv.py --input curated_csv/
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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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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: "main"
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data_files: "curated_csv/cullpdb_compiled.csv"
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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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| Item | Description |
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|------|-------------|
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| **Main CSV** | `curated_csv/cullpdb_compiled.csv` — 4,540,884 chains |
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| **Subsets** | `curated_csv/subsets/*.csv` — 242 files (same columns) |
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| **Index** | `curated_csv/cullpdb_list_fasta_index.csv` — 242 rows |
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from huggingface_hub import hf_hub_download
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import pandas as pd
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path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/cullpdb_compiled.csv", repo_type="dataset")
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df = pd.read_csv(path)
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```
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From repo root after clone/download:
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```bash
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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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Options: `--pc`, `--pc-min`, `--pc-max`, `--resolution-min`, `--resolution-max`, `--no-breaks`, `--R`, `--method`, `--len-min`, `--len-max`.
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