download structure
Browse files- README.md +26 -0
- dpacman/data/README.md +18 -0
- dpacman/data/chip_atlas/full_data_loading.py +57 -32
- dpacman/data/chip_atlas/smaller_data_loading.py +51 -31
- dpacman/data/tfclust/download.py +360 -0
README.md
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---
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license: cc-by-nc-nd-4.0
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---
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---
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license: cc-by-nc-nd-4.0
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---
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# Directory Structure
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```
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.
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├── README.md
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├── dpacman
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│ ├── data
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│ │ ├── README.md
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│ │ ├── chip_atlas
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│ │ │ ├── full_data_loading.py
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│ │ │ └── smaller_data_loading.py
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│ │ └── tfclust
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│ │ └── download.py
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│ └── data_files
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│ ├── processed
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│ │ └── tfclust
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│ └── raw
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│ ├── chip_atlas
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│ │ └── experimentList.tab
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│ └── tfclust
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│ ├── encRegTfbsClusteredWithCells.hg19.bed
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│ └── encRegTfbsClusteredWithCells.hg38.bed
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├── environment.yaml
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└── setup.py
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```
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dpacman/data/README.md
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# Data download directory
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## UCSC
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### Raw data download
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1. `encRegTfbsClusteredWithCells.hg38.bed.gz`
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```
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wget https://hgdownload.soe.ucsc.edu/goldenPath/hg38/encRegTfbsClustered/encRegTfbsClusteredWithCells.hg38.bed.gz
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gunzip encRegTfbsClusteredWithCells.hg38.bed.gz
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```
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2. `encRegTfbsClusteredWithCells.hg19.bed.gz`
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```
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wget https://hgdownload.soe.ucsc.edu/goldenPath/hg19/encRegTfbsClustered/encRegTfbsClusteredWithCells.hg19.bed.gz
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gunzip encRegTfbsClusteredWithCells.hg19.bed.gz
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```
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dpacman/data/chip_atlas/full_data_loading.py
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@@ -2,71 +2,96 @@ import pandas as pd
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from pathlib import Path
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import subprocess
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#Read only cols 0–2, no header
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df = pd.read_csv(
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"experimentList.tab",
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sep="\t",
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header=None,
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usecols=[0,1,2],
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names=["exp_id","genome","assay_group"],
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engine="python",
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on_bad_lines="skip",
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dtype=str
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)
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#Keep only known genome assemblies
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VALID_GENOMES = {
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"hg19",
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"
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"rn6",
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"dm3",
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"
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"
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}
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df = df[df["genome"].isin(VALID_GENOMES)]
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print("Assemblies in filtered data:", df["genome"].unique())
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-
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def modality(track):
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t = track.lower()
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if "atac"
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-
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if "
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return "ChIP"
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df["modality"] = df["assay_group"].apply(modality)
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-
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def make_urls(exp, genome, mod):
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urls = []
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if mod in ("ChIP","ATAC","DNase"):
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urls.append(f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bw/{exp}.bw")
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for thr in ("05","10","20"):
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urls.append(
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-
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else:
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urls.append(
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-
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return urls
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-
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-
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for genome, group in df.groupby("genome"):
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all_urls = []
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for _, row in group.iterrows():
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all_urls += make_urls(row.exp_id, genome, row.modality)
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uniq = sorted(set(all_urls))
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(urls_dir/f"urls_{genome}.txt").write_text("\n".join(uniq))
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print(f"{genome}: {len(uniq)} URLs")
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#Download into raw/{genome}/
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for url_file in urls_dir.glob("urls_*.txt"):
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genome = url_file.stem.split("_",1)[1]
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dest = Path("raw")/genome
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dest.mkdir(parents=True, exist_ok=True)
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print(f"\nDownloading {genome} → {dest}/…")
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subprocess.run(["wget","-nc","-i",str(url_file),"-P",str(dest)], check=True)
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print("Done! Check raw/{genome}/ for your files.")
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from pathlib import Path
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import subprocess
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# Read only cols 0–2, no header
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df = pd.read_csv(
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"experimentList.tab",
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sep="\t",
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header=None,
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usecols=[0, 1, 2],
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names=["exp_id", "genome", "assay_group"],
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engine="python",
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on_bad_lines="skip",
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dtype=str,
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)
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# Keep only known genome assemblies
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VALID_GENOMES = {
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"hg19",
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"hg38",
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"mm9",
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"mm10",
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"rn6",
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"dm3",
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"dm6",
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"ce10",
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"ce11",
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"sacCer3",
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}
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df = df[df["genome"].isin(VALID_GENOMES)]
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print("Assemblies in filtered data:", df["genome"].unique())
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# Classify assay type
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def modality(track):
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t = track.lower()
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if "atac" in t:
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return "ATAC"
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if "dnase" in t:
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return "DNase"
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if "bisulfite" in t or "methyl" in t:
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return "BS"
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return "ChIP"
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df["modality"] = df["assay_group"].apply(modality)
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# URL templates
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def make_urls(exp, genome, mod):
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urls = []
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if mod in ("ChIP", "ATAC", "DNase"):
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urls.append(f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bw/{exp}.bw")
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for thr in ("05", "10", "20"):
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urls.append(
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f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bed{thr}/{exp}.{thr}.bed"
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)
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urls.append(
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f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bb{thr}/{exp}.{thr}.bb"
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)
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else:
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urls.append(
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f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bs/methyl/{exp}.methyl.bw"
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)
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urls.append(
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f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bs/cover/{exp}.cover.bw"
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)
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for sub in ("hmr", "pmd", "hypermr"):
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urls.append(
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f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bs/{sub}/Bed/{exp}.{sub}.bed"
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)
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urls.append(
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f"https://chip-atlas.dbcls.jp/data/{genome}/eachData/bs/{sub}/BigBed/{exp}.{sub}.bb"
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)
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return urls
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# Write URL lists per genome
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urls_dir = Path("urls_by_genome")
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urls_dir.mkdir(exist_ok=True)
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for genome, group in df.groupby("genome"):
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all_urls = []
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for _, row in group.iterrows():
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all_urls += make_urls(row.exp_id, genome, row.modality)
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uniq = sorted(set(all_urls))
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(urls_dir / f"urls_{genome}.txt").write_text("\n".join(uniq))
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print(f"{genome}: {len(uniq)} URLs")
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# Download into raw/{genome}/
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for url_file in urls_dir.glob("urls_*.txt"):
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genome = url_file.stem.split("_", 1)[1]
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dest = Path("raw") / genome
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dest.mkdir(parents=True, exist_ok=True)
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print(f"\nDownloading {genome} → {dest}/…")
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subprocess.run(["wget", "-nc", "-i", str(url_file), "-P", str(dest)], check=True)
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print("Done! Check raw/{genome}/ for your files.")
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dpacman/data/chip_atlas/smaller_data_loading.py
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TARGET_REGIONS = 200_000
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# Assemblies to include
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ASSEMBLIES = [
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# How many experiments to sample at most per protein (tune up/down)
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MAX_EXPS_PER_PROTEIN = 50
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@@ -25,64 +36,67 @@ WORKDIR = Path("chip_atlas_fetch")
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WORKDIR.mkdir(exist_ok=True)
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LIST_DIR = WORKDIR / "lists"
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LIST_DIR.mkdir(exist_ok=True)
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DL_DIR
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DL_DIR.mkdir(exist_ok=True)
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# ─── HELPERS ──────────────────────────────────────────────────────────────────
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def download_and_extract(url, extract_to: Path):
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"""Fetch a ZIP and unzip it."""
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local = extract_to / Path(url).name
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if not local.exists():
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print(f"→ Downloading {url}")
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resp = requests.get(url, stream=True)
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with open(local, "wb") as f:
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for chunk in resp.iter_content(1<<20):
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f.write(chunk)
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with zipfile.ZipFile(local, "r") as z:
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z.extractall(extract_to)
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# ─── 1) GET MASTER LISTS ────────────────────────────────────────────────────
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print("1) Fetching master file & experiment lists…")
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FILELIST_URL
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download_and_extract(FILELIST_URL, LIST_DIR)
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download_and_extract(EXPERIMENTLIST_URL, LIST_DIR)
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filelist_txt
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experiment_txt
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# ─── 2) PARSE EXPERIMENT METADATA ────────────────────────────────────────────
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print("2) Parsing experiment → protein lookup…")
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exp_df = pd.read_csv(
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experiment_txt,
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sep=None,
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engine="python",
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encoding="latin1"
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)
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print("Columns in experiment list:", exp_df.columns.tolist())
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exp_df = (
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-
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-
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-
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-
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-
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'Antigen': 'assay_group'
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})
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)
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exp_df[
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# Finally, filter to only the assemblies you care about:
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exp_df = exp_df[exp_df[
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# build lookup
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exp_to_genome
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exp_to_protein = exp_df.set_index("exp_id")["protein"].to_dict()
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# ─── 3) BUILD URL LIST DIRECTLY ───────────────────────────────────────────────
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@@ -93,11 +107,12 @@ urls_by_exp = {}
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for exp, genome in exp_to_genome.items():
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urls_by_exp[exp] = [
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f"{BASE}/data/{genome}/eachData/bw/{exp}.bw",
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f"{BASE}/data/{genome}/eachData/bed10/{exp}.10.bed"
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]
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# bucket experiments by protein
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from collections import defaultdict
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prot_exps = defaultdict(list)
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for exp, prot in exp_to_protein.items():
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if exp in urls_by_exp:
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@@ -127,14 +142,19 @@ print(f" → Wrote {len(final_urls):,} URLs to {url_list_file}")
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# ─── 4) PARALLEL DOWNLOAD VIA aria2c ─────────────────────────────────────────
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print("4) Downloading with aria2c…")
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subprocess.run(
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-
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-
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-
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-
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-
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-
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-
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print("✅ Finished downloading all selected files.")
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print(f"Your files are in: {DL_DIR.resolve()}")
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TARGET_REGIONS = 200_000
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# Assemblies to include
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ASSEMBLIES = [
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"hg19",
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"hg38",
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"mm9",
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"mm10",
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+
"rn6",
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"dm3",
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"dm6",
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"ce10",
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"ce11",
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"sacCer3",
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]
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# How many experiments to sample at most per protein (tune up/down)
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MAX_EXPS_PER_PROTEIN = 50
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WORKDIR.mkdir(exist_ok=True)
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LIST_DIR = WORKDIR / "lists"
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LIST_DIR.mkdir(exist_ok=True)
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DL_DIR = WORKDIR / "downloads"
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DL_DIR.mkdir(exist_ok=True)
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# ─── HELPERS ──────────────────────────────────────────────────────────────────
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| 43 |
|
| 44 |
+
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| 45 |
def download_and_extract(url, extract_to: Path):
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| 46 |
"""Fetch a ZIP and unzip it."""
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| 47 |
local = extract_to / Path(url).name
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| 48 |
if not local.exists():
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print(f"→ Downloading {url}")
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resp = requests.get(url, stream=True)
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resp.raise_for_status()
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with open(local, "wb") as f:
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for chunk in resp.iter_content(1 << 20):
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f.write(chunk)
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with zipfile.ZipFile(local, "r") as z:
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z.extractall(extract_to)
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+
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| 59 |
# ─── 1) GET MASTER LISTS ────────────────────────────────────────────────────
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| 60 |
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| 61 |
print("1) Fetching master file & experiment lists…")
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+
FILELIST_URL = (
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"https://dbarchive.biosciencedbc.jp/data/chip-atlas/LATEST/chip_atlas_file_list.zip"
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| 64 |
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)
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EXPERIMENTLIST_URL = "https://dbarchive.biosciencedbc.jp/data/chip-atlas/LATEST/chip_atlas_experiment_list.zip"
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download_and_extract(FILELIST_URL, LIST_DIR)
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| 68 |
download_and_extract(EXPERIMENTLIST_URL, LIST_DIR)
|
| 69 |
|
| 70 |
+
filelist_txt = LIST_DIR / "chip_atlas_file_list.csv"
|
| 71 |
+
experiment_txt = LIST_DIR / "chip_atlas_experiment_list.csv"
|
| 72 |
|
| 73 |
# ─── 2) PARSE EXPERIMENT METADATA ────────────────────────────────────────────
|
| 74 |
|
| 75 |
print("2) Parsing experiment → protein lookup…")
|
| 76 |
exp_df = pd.read_csv(
|
| 77 |
experiment_txt,
|
| 78 |
+
sep=None, # let python engine guess (comma vs. tab)
|
| 79 |
+
engine="python", # required when sep=None
|
| 80 |
+
encoding="latin1", # to avoid UnicodeDecodeErrors
|
| 81 |
)
|
| 82 |
|
| 83 |
print("Columns in experiment list:", exp_df.columns.tolist())
|
| 84 |
|
| 85 |
+
exp_df = exp_df.loc[:, ["Experimental ID", "Genome assembly", "Antigen"]].rename(
|
| 86 |
+
columns={
|
| 87 |
+
"Experimental ID": "exp_id",
|
| 88 |
+
"Genome assembly": "genome",
|
| 89 |
+
"Antigen": "assay_group",
|
| 90 |
+
}
|
|
|
|
|
|
|
| 91 |
)
|
| 92 |
|
| 93 |
+
exp_df["protein"] = exp_df["assay_group"].str.replace(r"_ChIP.*", "", regex=True)
|
| 94 |
|
| 95 |
# Finally, filter to only the assemblies you care about:
|
| 96 |
+
exp_df = exp_df[exp_df["genome"].isin(ASSEMBLIES)]
|
| 97 |
|
| 98 |
# build lookup
|
| 99 |
+
exp_to_genome = exp_df.set_index("exp_id")["genome"].to_dict()
|
| 100 |
exp_to_protein = exp_df.set_index("exp_id")["protein"].to_dict()
|
| 101 |
|
| 102 |
# ─── 3) BUILD URL LIST DIRECTLY ───────────────────────────────────────────────
|
|
|
|
| 107 |
for exp, genome in exp_to_genome.items():
|
| 108 |
urls_by_exp[exp] = [
|
| 109 |
f"{BASE}/data/{genome}/eachData/bw/{exp}.bw",
|
| 110 |
+
f"{BASE}/data/{genome}/eachData/bed10/{exp}.10.bed",
|
| 111 |
]
|
| 112 |
|
| 113 |
# bucket experiments by protein
|
| 114 |
from collections import defaultdict
|
| 115 |
+
|
| 116 |
prot_exps = defaultdict(list)
|
| 117 |
for exp, prot in exp_to_protein.items():
|
| 118 |
if exp in urls_by_exp:
|
|
|
|
| 142 |
# ─── 4) PARALLEL DOWNLOAD VIA aria2c ─────────────────────────────────────────
|
| 143 |
|
| 144 |
print("4) Downloading with aria2c…")
|
| 145 |
+
subprocess.run(
|
| 146 |
+
[
|
| 147 |
+
"aria2c",
|
| 148 |
+
f"-x{ARIA2C_CONN}",
|
| 149 |
+
"--dir",
|
| 150 |
+
str(DL_DIR),
|
| 151 |
+
"--input-file",
|
| 152 |
+
str(url_list_file),
|
| 153 |
+
"--auto-file-renaming=false",
|
| 154 |
+
"--allow-overwrite=true",
|
| 155 |
+
],
|
| 156 |
+
check=True,
|
| 157 |
+
)
|
| 158 |
|
| 159 |
print("✅ Finished downloading all selected files.")
|
| 160 |
print(f"Your files are in: {DL_DIR.resolve()}")
|
dpacman/data/tfclust/download.py
ADDED
|
@@ -0,0 +1,360 @@
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|
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|
|
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|
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|
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|
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|
|
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|
|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import requests
|
| 2 |
+
from time import sleep
|
| 3 |
+
import json
|
| 4 |
+
import logging
|
| 5 |
+
import multiprocessing
|
| 6 |
+
from concurrent.futures import ThreadPoolExecutor, as_completed
|
| 7 |
+
import os
|
| 8 |
+
import pandas as pd
|
| 9 |
+
|
| 10 |
+
|
| 11 |
+
def get_all_tfs(genome: str = "hg38"):
|
| 12 |
+
"""
|
| 13 |
+
Get all the transcription factors from the appropriate encRegTfbsClusteredWithCells.genome.bed file.
|
| 14 |
+
Available in data_files/raw/tfclust for genomes hg38 and hg19
|
| 15 |
+
"""
|
| 16 |
+
# Read raw file
|
| 17 |
+
raw_data = pd.read_csv(
|
| 18 |
+
"../data_files/encode3TfbsClusteredWithCells.bed", sep="\t", header=None
|
| 19 |
+
)
|
| 20 |
+
raw_data.columns = ["chrom", "start", "end", "tf_name", "score", "cell_line"]
|
| 21 |
+
|
| 22 |
+
# Extract all unique TF names
|
| 23 |
+
all_tfs = encode_raw["tf_name"].unique().tolist()
|
| 24 |
+
logging.info(f"Found {len(all_tfs)} transcription factors in genome {genome}.")
|
| 25 |
+
|
| 26 |
+
return all_tfs
|
| 27 |
+
|
| 28 |
+
|
| 29 |
+
def get_all_chroms(genome: str = "hg38"):
|
| 30 |
+
"""
|
| 31 |
+
Fetch all chromosome names for a genome.
|
| 32 |
+
Note: some chromosomes are in unexpected formats (e.g. there is 'chr15', but also 'chr15_ML143371v1_fix')
|
| 33 |
+
"""
|
| 34 |
+
url = f"https://api.genome.ucsc.edu/list/chromosomes?genome={genome}"
|
| 35 |
+
try:
|
| 36 |
+
r = requests.get(url)
|
| 37 |
+
r.raise_for_status()
|
| 38 |
+
except:
|
| 39 |
+
raise ValueError(f"Failed to fetch all chromosomes for genome {genome}")
|
| 40 |
+
|
| 41 |
+
all_chroms = [chrom for chrom in r.json()["chromosomes"]]
|
| 42 |
+
logging.info(f"Found {len(all_chroms)} chromosomes in genome {genome}.")
|
| 43 |
+
|
| 44 |
+
return all_chroms
|
| 45 |
+
|
| 46 |
+
|
| 47 |
+
def fetch_tfbs_track(chrom: str, genome: str = "hg38"):
|
| 48 |
+
"""
|
| 49 |
+
Fetch raw data from the track encRegTfbsClustered.
|
| 50 |
+
Returns json data for the specified chromosome, where key information appears as follows:
|
| 51 |
+
"encRegTfbsClustered": [
|
| 52 |
+
{
|
| 53 |
+
"bin": 585,
|
| 54 |
+
"chrom": "chr1",
|
| 55 |
+
"chromStart": 9917,
|
| 56 |
+
"chromEnd": 10247,
|
| 57 |
+
"name": "NUFIP1",
|
| 58 |
+
"score": 680,
|
| 59 |
+
"sourceCount": 1,
|
| 60 |
+
"sourceIds": "1063",
|
| 61 |
+
"sourceScores": "680"
|
| 62 |
+
},...
|
| 63 |
+
]
|
| 64 |
+
|
| 65 |
+
"""
|
| 66 |
+
params = {"genome": genome, "track": "encRegTfbsClustered", "chrom": chrom}
|
| 67 |
+
url = f"https://api.genome.ucsc.edu/getData/track?genome={params['genome']};track={params['track']};chrom={params['chrom']}"
|
| 68 |
+
try:
|
| 69 |
+
r = requests.get(url)
|
| 70 |
+
r.raise_for_status()
|
| 71 |
+
except:
|
| 72 |
+
raise ValueError(
|
| 73 |
+
f"Failed to fetch encRegTfbsClustered for {chrom} in genome {genome}"
|
| 74 |
+
)
|
| 75 |
+
|
| 76 |
+
# Extract the output and save it
|
| 77 |
+
json_out_dir = f"../data_files/raw/tfclust/encRegTfbsClustered_data/{genome}"
|
| 78 |
+
os.makedirs(json_out_dir, exist_ok=True)
|
| 79 |
+
|
| 80 |
+
# Save it
|
| 81 |
+
json_output = r.json()
|
| 82 |
+
with open(
|
| 83 |
+
f"{json_out_dir}/{params['genome']}_{params['track']}_{params['chrom']}.json",
|
| 84 |
+
"w",
|
| 85 |
+
) as f:
|
| 86 |
+
json.dump(json_output, f, indent=4)
|
| 87 |
+
|
| 88 |
+
logging.info(
|
| 89 |
+
f"Saved to {json_out_dir}/{params['genome']}_{params['track']}_{params['chrom']}.json"
|
| 90 |
+
)
|
| 91 |
+
return json_output
|
| 92 |
+
|
| 93 |
+
|
| 94 |
+
def get_sequence(
|
| 95 |
+
chrom: str,
|
| 96 |
+
start: int,
|
| 97 |
+
end: int,
|
| 98 |
+
flank5: int = 0,
|
| 99 |
+
flank3: int = 0,
|
| 100 |
+
genome: str = "hg38",
|
| 101 |
+
):
|
| 102 |
+
"""
|
| 103 |
+
Given genome, start position, end position, chromosome, and desired flank size, extract the raw DNA sequence
|
| 104 |
+
"""
|
| 105 |
+
new_start = max(0, start - flank)
|
| 106 |
+
new_end = end + flank
|
| 107 |
+
region = f"{chrom}:{new_start}-{new_end}"
|
| 108 |
+
url = f"https://api.genome.ucsc.edu/getData/sequence?genome={genome};chrom={chrom};start={new_start};end={new_end}"
|
| 109 |
+
try:
|
| 110 |
+
r = requests.get(url)
|
| 111 |
+
r.raise_for_status()
|
| 112 |
+
except:
|
| 113 |
+
raise ValueError(f"Failed to fetch sequence for {region} in genome {genome}")
|
| 114 |
+
|
| 115 |
+
results_dict = {
|
| 116 |
+
"chromStart": new_start,
|
| 117 |
+
"chromEnd": new_end,
|
| 118 |
+
"seq": r.json()["dna"],
|
| 119 |
+
}
|
| 120 |
+
return results_dict
|
| 121 |
+
|
| 122 |
+
|
| 123 |
+
def extract_tfbs_with_context(
|
| 124 |
+
genome: str = "hg38",
|
| 125 |
+
flank5: int = 500,
|
| 126 |
+
flank3: int = 500,
|
| 127 |
+
control_run: bool = True, # if there's a flank, whether to also run without flank
|
| 128 |
+
out_dir: str = "../data_files/processed/tfclust",
|
| 129 |
+
allowed_tfs: list = None, # e.g., ['CTCF', 'MAX']
|
| 130 |
+
chroms: list = None,
|
| 131 |
+
):
|
| 132 |
+
"""
|
| 133 |
+
Loop through raw downloads and extract TF binding sites (bs) with flanks
|
| 134 |
+
Builds a DataFrame with all the available data for each TF. Columns = ["bin", "chrom", "chromStart", "chromEnd", "name", "score", "scoreCount", "sourceIds", "sourceScores", "seq", "seq_flanked", "chromStart_flanked", "chromEnd_flanked"]
|
| 135 |
+
"""
|
| 136 |
+
# Prepare to save output
|
| 137 |
+
os.makedirs(out_dir, exist_ok=True)
|
| 138 |
+
|
| 139 |
+
# Get chromosomes
|
| 140 |
+
if chroms is None:
|
| 141 |
+
logging.info(
|
| 142 |
+
"No chromosomes provided, fetching all chromosomes for the given genome..."
|
| 143 |
+
)
|
| 144 |
+
chroms = get_all_chroms(genome)
|
| 145 |
+
count = 0
|
| 146 |
+
|
| 147 |
+
# Initialize the final DF
|
| 148 |
+
results_cols = [
|
| 149 |
+
"bin",
|
| 150 |
+
"chrom",
|
| 151 |
+
"chromStart",
|
| 152 |
+
"chromEnd",
|
| 153 |
+
"name",
|
| 154 |
+
"score",
|
| 155 |
+
"scoreCount",
|
| 156 |
+
"sourceIds",
|
| 157 |
+
"sourceScores",
|
| 158 |
+
"seq",
|
| 159 |
+
"seq_flanked",
|
| 160 |
+
"chromStart_flanked",
|
| 161 |
+
"chromEnd_flanked",
|
| 162 |
+
"flank5",
|
| 163 |
+
"flank3",
|
| 164 |
+
]
|
| 165 |
+
results_init = pd.DataFrame(columns=results_cols)
|
| 166 |
+
|
| 167 |
+
# Make a list of the types of runs we need
|
| 168 |
+
queries = [{"flank5": flank5, "flank3": flank3}]
|
| 169 |
+
if not ((flank5 == 0) and (flank3 == 0) and control_run):
|
| 170 |
+
queries.append({"type": "control", "flank5": 0, "flank3": 0})
|
| 171 |
+
queries[0]["type"] = "flank"
|
| 172 |
+
elif (flank5 == 0) and (flank3 == 0):
|
| 173 |
+
queries[0]["type"] = "control"
|
| 174 |
+
|
| 175 |
+
# For each chromosome, download the encRegTfbsClustered track, extract the features, and fetch the sequences
|
| 176 |
+
# Loop through chroms
|
| 177 |
+
for chrom in chroms:
|
| 178 |
+
results_init.to_csv(
|
| 179 |
+
f"{out_dir}/encRegTfbsClustered_{genome}_{chrom}.csv", index=False
|
| 180 |
+
)
|
| 181 |
+
logging.info(f"Fetching {chrom}...")
|
| 182 |
+
# Fetch the data json (has start and end positions in the chrom, but not the sequence)
|
| 183 |
+
try:
|
| 184 |
+
data = fetch_tfbs_track(chrom, genome=genome)
|
| 185 |
+
logging.info(f" → Fetched {chrom} successfully")
|
| 186 |
+
features = data.get("encRegTfbsClustered", {})
|
| 187 |
+
logging.info(f" → Found {len(features)} features")
|
| 188 |
+
except Exception as e:
|
| 189 |
+
logging.info(f" Failed to fetch {chrom}: {e}")
|
| 190 |
+
continue
|
| 191 |
+
|
| 192 |
+
# Get the sequences of the DNA binding sites
|
| 193 |
+
for feature_no, feature in enumerate(features):
|
| 194 |
+
# Initialize new results row
|
| 195 |
+
new_row = {}
|
| 196 |
+
|
| 197 |
+
# Check if tf is valid
|
| 198 |
+
tf_name = feature.get("name", "UnknownTF")
|
| 199 |
+
if allowed_tfs and tf_name not in allowed_tfs:
|
| 200 |
+
continue
|
| 201 |
+
else:
|
| 202 |
+
logging.warning(f"TF name {tf_name} not in allowed_tfs. Skipping.")
|
| 203 |
+
# Make sure the chromosomes match and we have the right sequence!
|
| 204 |
+
assert (
|
| 205 |
+
feature["chrom"] == chrom
|
| 206 |
+
), f"Chromosome mismatch: {feature['chrom']} != {chrom}"
|
| 207 |
+
|
| 208 |
+
# Add all the cols already in the json, add
|
| 209 |
+
for c in results_cols:
|
| 210 |
+
if c in feature:
|
| 211 |
+
new_row[c] = feature[c]
|
| 212 |
+
|
| 213 |
+
### Extract sequence
|
| 214 |
+
start = feature["chromStart"]
|
| 215 |
+
end = feature["chromEnd"]
|
| 216 |
+
|
| 217 |
+
for query in queries:
|
| 218 |
+
try:
|
| 219 |
+
results_dict = get_sequence(
|
| 220 |
+
chrom,
|
| 221 |
+
start,
|
| 222 |
+
end,
|
| 223 |
+
flank5=query["flank5"],
|
| 224 |
+
flank3=query["flank3"],
|
| 225 |
+
genome=genome,
|
| 226 |
+
)
|
| 227 |
+
logging.info(
|
| 228 |
+
f" Success on feat. {feature_no} {chrom}:{start}-{end}, type {query['type']}"
|
| 229 |
+
)
|
| 230 |
+
# Add the returned info
|
| 231 |
+
if type == "control":
|
| 232 |
+
new_row["seq"] = results_dict["seq"]
|
| 233 |
+
else:
|
| 234 |
+
new_row["seq_flanked"] = results_dict["seq"]
|
| 235 |
+
new_row["chromStart_flanked"] = results_dict["chromStart"]
|
| 236 |
+
new_row["chromEnd_flanked"] = results_dict["chromEnd"]
|
| 237 |
+
new_row["flank5"] = flank5
|
| 238 |
+
new_row["flank3"] = flank3
|
| 239 |
+
count += 1
|
| 240 |
+
except Exception as e:
|
| 241 |
+
logging.info(
|
| 242 |
+
f" Skipped feat. {feature_no} {chrom}:{start}-{end} due to error: {e}"
|
| 243 |
+
)
|
| 244 |
+
continue
|
| 245 |
+
|
| 246 |
+
sleep(0.05) # Stay within UCSC's 20 req/sec rate limit
|
| 247 |
+
|
| 248 |
+
# Fill out any blank columns
|
| 249 |
+
for c in results_cols:
|
| 250 |
+
if c not in new_row:
|
| 251 |
+
new_row[c] = None
|
| 252 |
+
|
| 253 |
+
new_row_df = pd.DataFrame(data=new_row, columns=results_cols)
|
| 254 |
+
if new_row_df["seq"] is not None:
|
| 255 |
+
new_row_df.to_csv(
|
| 256 |
+
f"{out_dir}/encRegTfbsClustered_{chrom}.csv",
|
| 257 |
+
mode="a",
|
| 258 |
+
index=False,
|
| 259 |
+
header=False,
|
| 260 |
+
)
|
| 261 |
+
logging.info(
|
| 262 |
+
f"Wrote new row to {out_dir}/encRegTfbsClustered_{chrom}.csv"
|
| 263 |
+
)
|
| 264 |
+
|
| 265 |
+
logging.info(f"Done. Wrote {count} sequences to {output}")
|
| 266 |
+
|
| 267 |
+
|
| 268 |
+
# Thread function for one chromosome
|
| 269 |
+
def process_chrom(
|
| 270 |
+
chrom: str = "chr1",
|
| 271 |
+
genome: str = "hg38",
|
| 272 |
+
flank5: int = 500,
|
| 273 |
+
flank3: int = 500,
|
| 274 |
+
control_run: bool = True,
|
| 275 |
+
out_dir: str = "../data_files/processed/tfclust",
|
| 276 |
+
allowed_tfs: list = None,
|
| 277 |
+
max_cpu_frac: float = None,
|
| 278 |
+
):
|
| 279 |
+
"""
|
| 280 |
+
Called within parallel method to strat a thread
|
| 281 |
+
"""
|
| 282 |
+
logging.info(f"Starting thread for {chrom}")
|
| 283 |
+
try:
|
| 284 |
+
extract_tfbs_with_context(
|
| 285 |
+
genome=genome,
|
| 286 |
+
flank5=flank5,
|
| 287 |
+
flank3=flank3,
|
| 288 |
+
control_run=control_run,
|
| 289 |
+
out_dir=out_dir,
|
| 290 |
+
allowed_tfs=allowed_tfs,
|
| 291 |
+
chroms=[chrom], # important: wrap in list
|
| 292 |
+
)
|
| 293 |
+
logging.info(f"Finished {chrom}")
|
| 294 |
+
except Exception as e:
|
| 295 |
+
logging.error(f"Error processing {chrom}: {e}")
|
| 296 |
+
|
| 297 |
+
|
| 298 |
+
def parallel_extract_tfbs_with_context(
|
| 299 |
+
genome: str = "hg38",
|
| 300 |
+
flank5: int = 500,
|
| 301 |
+
flank3: int = 500,
|
| 302 |
+
control_run: bool = True,
|
| 303 |
+
out_dir: str = "../data_files/processed/tfclust",
|
| 304 |
+
allowed_tfs: list = None,
|
| 305 |
+
chroms: list = None,
|
| 306 |
+
max_cpu_frac: float = None,
|
| 307 |
+
):
|
| 308 |
+
"""
|
| 309 |
+
Call extract_tfbs_with_context() using multithreading, one thread per chromosome.
|
| 310 |
+
"""
|
| 311 |
+
# Get all chromosomes if not supplied
|
| 312 |
+
if chroms is None:
|
| 313 |
+
chroms = get_all_chroms(genome=genome)
|
| 314 |
+
|
| 315 |
+
# Determine max workers
|
| 316 |
+
max_workers = len(chroms)
|
| 317 |
+
max_available = int(multiprocessing.cpu_count())
|
| 318 |
+
if max_cpu_frac is not None:
|
| 319 |
+
max_available = int(multiprocessing.cpu_count() * max_cpu_frac)
|
| 320 |
+
max_workers = min(max_workers, max_available)
|
| 321 |
+
logging.info(
|
| 322 |
+
f"{max_available} CPU cores available. Using {max_workers} threads for genome {genome}..."
|
| 323 |
+
)
|
| 324 |
+
|
| 325 |
+
# Launch threads
|
| 326 |
+
with ThreadPoolExecutor(max_workers=max_workers) as executor:
|
| 327 |
+
futures = {executor.submit(process_chrom, chrom): chrom for chrom in chroms}
|
| 328 |
+
for future in as_completed(futures):
|
| 329 |
+
chrom = futures[future]
|
| 330 |
+
try:
|
| 331 |
+
future.result()
|
| 332 |
+
except Exception as e:
|
| 333 |
+
logging.error(f"Chromosome {chrom} raised an exception: {e}")
|
| 334 |
+
|
| 335 |
+
|
| 336 |
+
def main():
|
| 337 |
+
genomes = ["hg38", "hg19"]
|
| 338 |
+
frac_per_genome = round(1 / len(genomes), 1)
|
| 339 |
+
for genome in genomes:
|
| 340 |
+
all_chroms = get_all_chroms(genome=genome)
|
| 341 |
+
parallel_extract_tfbs_with_context(
|
| 342 |
+
genome=genome,
|
| 343 |
+
flank5=500,
|
| 344 |
+
flank3=500,
|
| 345 |
+
control_run=True, # if there's a flank, whether to also run without flank
|
| 346 |
+
out_dir=f"../data_files/processed/tfclust/{genome}",
|
| 347 |
+
allowed_tfs=None, # e.g., ['CTCF', 'MAX']
|
| 348 |
+
chroms=None,
|
| 349 |
+
max_cpu_frac=frac_per_genome,
|
| 350 |
+
)
|
| 351 |
+
|
| 352 |
+
|
| 353 |
+
if __name__ == "__main__":
|
| 354 |
+
logger = logging.getLogger(__name__)
|
| 355 |
+
logging.basicConfig(
|
| 356 |
+
filename="download.log",
|
| 357 |
+
encoding="utf-8",
|
| 358 |
+
level=logging.DEBUG,
|
| 359 |
+
filemode="w",
|
| 360 |
+
)
|