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Add normalized Parquet train/test Human Protein Atlas table

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README.md CHANGED
@@ -1,83 +1,134 @@
1
  ---
2
- license: cc-by-sa-4.0
3
- pretty_name: Human Protein Atlas
4
- size_categories:
5
- - 10K<n<100K
6
- task_categories:
7
- - other
8
- language:
9
- - en
10
  tags:
11
- - biology
12
- - proteins
13
- - annotation
14
- - human-protein-atlas
15
- - jsonl
 
 
 
 
 
 
 
 
 
16
  ---
17
 
18
- # Human Protein Atlas
19
 
20
- Per-protein annotations from the Human Protein Atlas (proteinatlas.json), normalized to newline-delimited JSON with row-level provenance.
21
 
22
- Processed and uploaded by the [MegaData](https://github.com/) post-download pipeline
23
- (internal repo). Original source: <https://www.proteinatlas.org/about/download>.
24
 
25
- ## Statistics
26
 
27
- | | |
28
- |---|---|
29
- | Table files | 1 |
30
- | Total rows | 20,162 |
31
- | Total bytes | 148.67 MiB (155,892,614) |
32
 
33
- ## Tables
34
 
35
- | Table | Rows | Bytes |
36
- |---|---:|---:|
37
- | `annotation_human_protein_atlas_proteinatlas.json.gz.jsonl` | 20,162 | 148.67 MiB |
 
 
38
 
39
- ## Layout
40
 
41
- ```
42
- .
43
- ├── _MANIFEST.json # aggregate manifest (per-table counts)
44
- └── tables/<source_slug>.jsonl # normalized rows (one JSON object per line)
45
  ```
46
 
47
- Each line in a `tables/*.jsonl` file is a JSON object with at least
48
- `dataset_id`, `row` (the raw upstream row), `row_index`, and `source_file`
49
- fields, so every row carries its upstream provenance.
50
 
51
- ## Loading
 
52
 
53
- ```bash
54
- hf download LiteFold/HumanProteinAtlas --repo-type dataset --local-dir ./human_protein_atlas
 
55
  ```
56
 
57
- Programmatic streaming:
58
 
59
  ```python
60
- import json
61
- from pathlib import Path
62
- from huggingface_hub import snapshot_download
63
-
64
- local = snapshot_download(repo_id="LiteFold/HumanProteinAtlas", repo_type="dataset")
65
- for jsonl in sorted(Path(local, "tables").glob("*.jsonl")):
66
- with jsonl.open() as f:
67
- for line in f:
68
- row = json.loads(line)
69
- ... # row["row"] is the upstream record
70
  ```
71
 
72
- ## License
73
 
74
- CC BY-SA 4.0 (Human Protein Atlas).
 
 
 
 
 
 
75
 
76
- ## Citation
77
 
78
- > Uhlen M, et al. Tissue-based map of the human proteome. Science, 347(6220):1260419, 2015.
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
79
 
80
- ## Provenance
81
 
82
- Built from the local manifest entry `human_protein_atlas` of `manifests/atlas_download_plan.json`.
83
- Pipeline source: `megadata-post normalize --dataset human_protein_atlas --tables-only`.
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
  ---
2
+ pretty_name: Human Protein Atlas Gene Annotations
3
+ license: other
 
 
 
 
 
 
4
  tags:
5
+ - biology
6
+ - proteins
7
+ - human
8
+ - human-protein-atlas
9
+ - gene-expression
10
+ - subcellular-localization
11
+ - parquet
12
+ configs:
13
+ - config_name: default
14
+ data_files:
15
+ - split: train
16
+ path: data/train-*.parquet
17
+ - split: test
18
+ path: data/test-*.parquet
19
  ---
20
 
21
+ # Human Protein Atlas Gene Annotations
22
 
23
+ This dataset contains a viewer-friendly gene-level Parquet table derived from the Human Protein Atlas JSONL source in this repository. Each row is one gene/protein entry. Repeated cancer-prognostic and RNA expression measurements are available as metadata tables.
24
 
25
+ ## Splits
 
26
 
27
+ The split is deterministic by Ensembl ID: `sha256(ensembl_id) % 10`. Bucket `0` is `test`; buckets `1` through `9` are `train`.
28
 
29
+ | Split | Rows |
30
+ |---|---:|
31
+ | train | 18,138 |
32
+ | test | 2,024 |
33
+ | total | 20,162 |
34
 
35
+ ## Dataset Statistics
36
 
37
+ | Field | Value |
38
+ |---|---:|
39
+ | Gene rows | 20,162 |
40
+ | Cancer prognostic metadata rows | 442,504 |
41
+ | RNA expression measurement rows | 149,150 |
42
 
43
+ ## Usage
44
 
45
+ ```bash
46
+ pip install datasets
 
 
47
  ```
48
 
49
+ Load all splits:
 
 
50
 
51
+ ```python
52
+ from datasets import load_dataset
53
 
54
+ ds = load_dataset("LiteFold/HumanProteinAtlas")
55
+ print(ds)
56
+ print(ds["train"][0]["gene"])
57
  ```
58
 
59
+ Load one split:
60
 
61
  ```python
62
+ from datasets import load_dataset
63
+
64
+ train = load_dataset("LiteFold/HumanProteinAtlas", split="train")
 
 
 
 
 
 
 
65
  ```
66
 
67
+ Filter genes with protein-level evidence:
68
 
69
+ ```python
70
+ from datasets import load_dataset
71
+
72
+ ds = load_dataset("LiteFold/HumanProteinAtlas", split="train")
73
+ protein_level = ds.filter(lambda row: row["evidence"] == "Evidence at protein level")
74
+ print(protein_level[0])
75
+ ```
76
 
77
+ Load metadata tables directly:
78
 
79
+ ```python
80
+ import pandas as pd
81
+ from huggingface_hub import hf_hub_download
82
+
83
+ prognostics_path = hf_hub_download(
84
+ repo_id="LiteFold/HumanProteinAtlas",
85
+ repo_type="dataset",
86
+ filename="metadata/cancer_prognostics.parquet",
87
+ )
88
+ prognostics = pd.read_parquet(prognostics_path)
89
+ print(prognostics.head())
90
+
91
+ expression_path = hf_hub_download(
92
+ repo_id="LiteFold/HumanProteinAtlas",
93
+ repo_type="dataset",
94
+ filename="metadata/rna_expression_measurements.parquet",
95
+ )
96
+ expression = pd.read_parquet(expression_path)
97
+ print(expression.head())
98
+ ```
99
 
100
+ ## Key Columns
101
 
102
+ | Column | Description |
103
+ |---|---|
104
+ | `ensembl_id` | Ensembl gene ID. |
105
+ | `gene` | Gene symbol. |
106
+ | `gene_description` | Gene/protein description. |
107
+ | `uniprot` | UniProt accession, when available. |
108
+ | `chromosome` | Chromosome. |
109
+ | `position` | Genomic position string. |
110
+ | `evidence` | Main HPA evidence level. |
111
+ | `hpa_evidence` | HPA-specific evidence level. |
112
+ | `uniprot_evidence` | UniProt evidence level. |
113
+ | `nextprot_evidence` | neXtProt evidence level. |
114
+ | `antibodies` | HPA antibody IDs. |
115
+ | `gene_synonyms` | Gene synonyms. |
116
+ | `protein_classes` | Protein class labels. |
117
+ | `biological_processes` | Biological process annotations. |
118
+ | `molecular_functions` | Molecular function annotations. |
119
+ | `disease_involvement` | Disease involvement labels. |
120
+ | `subcellular_main_locations` | Main subcellular locations. |
121
+ | `subcellular_additional_locations` | Additional subcellular locations. |
122
+ | `secretome_locations` | Secretome location annotations. |
123
+ | `secretome_functions` | Secretome function annotations. |
124
+ | `rna_tissue_specificity` | RNA tissue specificity category. |
125
+ | `rna_tissue_distribution` | RNA tissue distribution category. |
126
+ | `prognostic_cancer_count` | Number of cancers where the gene is prognostic. |
127
+ | `validated_prognostic_cancer_count` | Number of validated prognostic cancer entries. |
128
+ | `potential_prognostic_cancer_count` | Number of potential prognostic cancer entries. |
129
+ | `prognostic_cancers` | Cancer names with prognostic entries. |
130
+ | `split_bucket` | Deterministic split bucket from `sha256(ensembl_id) % 10`. |
131
+
132
+ ## Preparation
133
+
134
+ The normalization script used to create the Parquet files is included at `scripts/prepare_hpa_dataset.py`.
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+ size 234848
data/train-00000-of-00001.parquet ADDED
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+ size 1646557
dataset_summary.json ADDED
@@ -0,0 +1,127 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "source": "LiteFold/HumanProteinAtlas",
3
+ "entry_rows": 20162,
4
+ "cancer_prognostic_rows": 442504,
5
+ "rna_expression_measurement_rows": 149150,
6
+ "splits": {
7
+ "train": 18138,
8
+ "test": 2024
9
+ },
10
+ "split_strategy": "deterministic sha256(ensembl_id) % 10; bucket 0 is test, buckets 1-9 are train",
11
+ "evidence_counts": {
12
+ "Evidence at protein level": 18564,
13
+ "Evidence at transcript level": 1344,
14
+ "No human protein/transcript evidence": 254
15
+ },
16
+ "rna_tissue_specificity_counts": {
17
+ "Low tissue specificity": 8096,
18
+ "Tissue enhanced": 6356,
19
+ "Tissue enriched": 3132,
20
+ "Group enriched": 1547,
21
+ "Not detected": 1031
22
+ },
23
+ "top_subcellular_main_locations": {
24
+ "Nucleoplasm": 4897,
25
+ "Cytosol": 3087,
26
+ "Vesicles": 1661,
27
+ "Plasma membrane": 1648,
28
+ "Mitochondria": 974,
29
+ "Golgi apparatus": 886,
30
+ "Nucleoli": 638,
31
+ "Endoplasmic reticulum": 486,
32
+ "Nuclear speckles": 412,
33
+ "Nuclear bodies": 326,
34
+ "Centrosome": 248,
35
+ "Microtubules": 237,
36
+ "Nucleoli fibrillar center": 193,
37
+ "Nuclear membrane": 193,
38
+ "Cell Junctions": 192,
39
+ "Mid piece": 151,
40
+ "Principal piece": 140,
41
+ "Primary cilium": 140,
42
+ "Basal body": 139,
43
+ "Actin filaments": 138
44
+ },
45
+ "top_protein_classes": {
46
+ "Predicted intracellular proteins": 15915,
47
+ "Predicted membrane proteins": 5573,
48
+ "Disease related genes": 4906,
49
+ "Human disease related genes": 4555,
50
+ "Enzymes": 3777,
51
+ "Plasma proteins": 3750,
52
+ "Metabolic proteins": 2882,
53
+ "Transporters": 2138,
54
+ "Essential proteins": 2023,
55
+ "Predicted secreted proteins": 1902,
56
+ "Potential drug targets": 1757,
57
+ "Cancer-related genes": 1672,
58
+ "Transcription factors": 1485,
59
+ "FDA approved drug targets": 854,
60
+ "G-protein coupled receptors": 743,
61
+ "CD markers": 384,
62
+ "RAS pathway related proteins": 235,
63
+ "Immunoglobulin genes": 214,
64
+ "T-cell receptor genes": 196,
65
+ "Ribosomal proteins": 180
66
+ },
67
+ "columns": [
68
+ "ensembl_id",
69
+ "gene",
70
+ "gene_description",
71
+ "uniprot",
72
+ "chromosome",
73
+ "position",
74
+ "evidence",
75
+ "hpa_evidence",
76
+ "uniprot_evidence",
77
+ "nextprot_evidence",
78
+ "antibodies",
79
+ "gene_synonyms",
80
+ "protein_classes",
81
+ "biological_processes",
82
+ "molecular_functions",
83
+ "disease_involvement",
84
+ "subcellular_main_locations",
85
+ "subcellular_additional_locations",
86
+ "secretome_locations",
87
+ "secretome_functions",
88
+ "reliability_if",
89
+ "reliability_ih",
90
+ "reliability_mouse_brain",
91
+ "interactions",
92
+ "ccd_protein",
93
+ "ccd_transcript",
94
+ "blood_expression_cluster",
95
+ "brain_expression_cluster",
96
+ "cell_line_expression_cluster",
97
+ "single_cell_expression_cluster",
98
+ "tissue_expression_cluster",
99
+ "rna_tissue_specificity",
100
+ "rna_tissue_distribution",
101
+ "rna_tissue_specificity_score",
102
+ "rna_cell_line_specificity",
103
+ "rna_cell_line_distribution",
104
+ "rna_cell_line_specificity_score",
105
+ "rna_cancer_specificity",
106
+ "rna_cancer_distribution",
107
+ "rna_cancer_specificity_score",
108
+ "rna_single_cell_type_specificity",
109
+ "rna_single_cell_type_distribution",
110
+ "rna_single_cell_type_specificity_score",
111
+ "rna_blood_cell_specificity",
112
+ "rna_blood_cell_distribution",
113
+ "rna_blood_cell_specificity_score",
114
+ "prognostic_cancer_count",
115
+ "validated_prognostic_cancer_count",
116
+ "potential_prognostic_cancer_count",
117
+ "favorable_prognostic_cancers",
118
+ "unfavorable_prognostic_cancers",
119
+ "prognostic_cancers",
120
+ "source_row_index",
121
+ "split_bucket"
122
+ ],
123
+ "metadata_tables": [
124
+ "metadata/cancer_prognostics.parquet",
125
+ "metadata/rna_expression_measurements.parquet"
126
+ ]
127
+ }
metadata/cancer_prognostics.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:eb2be087d1c8e9f2af45770e988c5f1caa75f4ef4f87496b229977a913447aad
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+ size 1232620
metadata/rna_expression_measurements.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:0aaae1c210442b91464ae97102e9efd10b21c68bd9d70c220562107ecc771f8d
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+ size 872017
scripts/prepare_hpa_dataset.py ADDED
@@ -0,0 +1,313 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Build viewer-friendly Parquet splits for LiteFold/HumanProteinAtlas."""
3
+
4
+ from __future__ import annotations
5
+
6
+ import argparse
7
+ import hashlib
8
+ import json
9
+ import re
10
+ import shutil
11
+ from collections import Counter
12
+ from pathlib import Path
13
+ from typing import Any
14
+
15
+ import pandas as pd
16
+
17
+
18
+ ENTRY_COLUMNS = [
19
+ "ensembl_id",
20
+ "gene",
21
+ "gene_description",
22
+ "uniprot",
23
+ "chromosome",
24
+ "position",
25
+ "evidence",
26
+ "hpa_evidence",
27
+ "uniprot_evidence",
28
+ "nextprot_evidence",
29
+ "antibodies",
30
+ "gene_synonyms",
31
+ "protein_classes",
32
+ "biological_processes",
33
+ "molecular_functions",
34
+ "disease_involvement",
35
+ "subcellular_main_locations",
36
+ "subcellular_additional_locations",
37
+ "secretome_locations",
38
+ "secretome_functions",
39
+ "reliability_if",
40
+ "reliability_ih",
41
+ "reliability_mouse_brain",
42
+ "interactions",
43
+ "ccd_protein",
44
+ "ccd_transcript",
45
+ "blood_expression_cluster",
46
+ "brain_expression_cluster",
47
+ "cell_line_expression_cluster",
48
+ "single_cell_expression_cluster",
49
+ "tissue_expression_cluster",
50
+ "rna_tissue_specificity",
51
+ "rna_tissue_distribution",
52
+ "rna_tissue_specificity_score",
53
+ "rna_cell_line_specificity",
54
+ "rna_cell_line_distribution",
55
+ "rna_cell_line_specificity_score",
56
+ "rna_cancer_specificity",
57
+ "rna_cancer_distribution",
58
+ "rna_cancer_specificity_score",
59
+ "rna_single_cell_type_specificity",
60
+ "rna_single_cell_type_distribution",
61
+ "rna_single_cell_type_specificity_score",
62
+ "rna_blood_cell_specificity",
63
+ "rna_blood_cell_distribution",
64
+ "rna_blood_cell_specificity_score",
65
+ "prognostic_cancer_count",
66
+ "validated_prognostic_cancer_count",
67
+ "potential_prognostic_cancer_count",
68
+ "favorable_prognostic_cancers",
69
+ "unfavorable_prognostic_cancers",
70
+ "prognostic_cancers",
71
+ "source_row_index",
72
+ "split_bucket",
73
+ ]
74
+
75
+
76
+ PROGNOSIS_COLUMNS = [
77
+ "ensembl_id",
78
+ "gene",
79
+ "cancer",
80
+ "source",
81
+ "is_prognostic",
82
+ "p_value",
83
+ "prognostic",
84
+ "prognostic_type",
85
+ ]
86
+
87
+
88
+ EXPRESSION_COLUMNS = [
89
+ "ensembl_id",
90
+ "gene",
91
+ "measurement",
92
+ "sample",
93
+ "value",
94
+ ]
95
+
96
+
97
+ def stable_bucket(value: str, buckets: int = 10) -> int:
98
+ digest = hashlib.sha256(value.encode("utf-8")).hexdigest()[:16]
99
+ return int(digest, 16) % buckets
100
+
101
+
102
+ def as_list(value: Any) -> list[str]:
103
+ if value is None or value == "NA":
104
+ return []
105
+ if isinstance(value, list):
106
+ return [str(item) for item in value if item is not None and item != ""]
107
+ return [str(value)] if value != "" else []
108
+
109
+
110
+ def clean_scalar(value: Any) -> Any:
111
+ if value in {"NA", ""}:
112
+ return None
113
+ return value
114
+
115
+
116
+ def parse_float(value: Any) -> float | None:
117
+ if value in {None, "", "NA"}:
118
+ return None
119
+ try:
120
+ return float(value)
121
+ except (TypeError, ValueError):
122
+ return None
123
+
124
+
125
+ def score(value: Any) -> float | None:
126
+ return parse_float(value)
127
+
128
+
129
+ def normalize_cancer_name(column: str) -> tuple[str, str]:
130
+ label = column.removeprefix("Cancer prognostics - ")
131
+ source = "validation" if "(validation)" in label else "TCGA" if "(TCGA)" in label else ""
132
+ cancer = re.sub(r"\s*\((TCGA|validation)\)\s*$", "", label).strip()
133
+ return cancer, source
134
+
135
+
136
+ def entry_row(wrapper: dict[str, Any]) -> tuple[dict[str, Any], list[dict[str, Any]], list[dict[str, Any]]]:
137
+ row = wrapper["row"]
138
+ ensembl = row.get("Ensembl")
139
+ gene = row.get("Gene")
140
+ prognosis_rows = []
141
+ prognostic_cancers = []
142
+ validated = 0
143
+ potential = 0
144
+ favorable = []
145
+ unfavorable = []
146
+
147
+ expression_rows = []
148
+ for key, value in row.items():
149
+ if key.startswith("Cancer prognostics -") and isinstance(value, dict):
150
+ cancer, source = normalize_cancer_name(key)
151
+ is_prognostic = bool(value.get("is_prognostic"))
152
+ prognostic = value.get("prognostic") or None
153
+ prognostic_type = value.get("prognostic type") or None
154
+ if is_prognostic:
155
+ prognostic_cancers.append(cancer)
156
+ if prognostic == "validated prognostic":
157
+ validated += 1
158
+ elif prognostic == "potential prognostic":
159
+ potential += 1
160
+ if prognostic_type == "favorable":
161
+ favorable.append(cancer)
162
+ elif prognostic_type == "unfavorable":
163
+ unfavorable.append(cancer)
164
+ prognosis_rows.append(
165
+ {
166
+ "ensembl_id": ensembl,
167
+ "gene": gene,
168
+ "cancer": cancer,
169
+ "source": source,
170
+ "is_prognostic": is_prognostic,
171
+ "p_value": parse_float(value.get("p_val")),
172
+ "prognostic": prognostic,
173
+ "prognostic_type": prognostic_type,
174
+ }
175
+ )
176
+ elif key.startswith("RNA ") and isinstance(value, dict):
177
+ for sample, measurement in value.items():
178
+ expression_rows.append(
179
+ {
180
+ "ensembl_id": ensembl,
181
+ "gene": gene,
182
+ "measurement": key,
183
+ "sample": sample,
184
+ "value": parse_float(measurement),
185
+ }
186
+ )
187
+
188
+ entry = {
189
+ "ensembl_id": ensembl,
190
+ "gene": gene,
191
+ "gene_description": row.get("Gene description"),
192
+ "uniprot": row.get("Uniprot"),
193
+ "chromosome": row.get("Chromosome"),
194
+ "position": row.get("Position"),
195
+ "evidence": row.get("Evidence"),
196
+ "hpa_evidence": row.get("HPA evidence"),
197
+ "uniprot_evidence": row.get("UniProt evidence"),
198
+ "nextprot_evidence": row.get("NeXtProt evidence"),
199
+ "antibodies": as_list(row.get("Antibody")),
200
+ "gene_synonyms": as_list(row.get("Gene synonym")),
201
+ "protein_classes": as_list(row.get("Protein class")),
202
+ "biological_processes": as_list(row.get("Biological process")),
203
+ "molecular_functions": as_list(row.get("Molecular function")),
204
+ "disease_involvement": as_list(row.get("Disease involvement")),
205
+ "subcellular_main_locations": as_list(row.get("Subcellular main location")),
206
+ "subcellular_additional_locations": as_list(row.get("Subcellular additional location")),
207
+ "secretome_locations": as_list(row.get("Secretome location")),
208
+ "secretome_functions": as_list(row.get("Secretome function")),
209
+ "reliability_if": clean_scalar(row.get("Reliability (IF)")),
210
+ "reliability_ih": clean_scalar(row.get("Reliability (IH)")),
211
+ "reliability_mouse_brain": clean_scalar(row.get("Reliability (Mouse Brain)")),
212
+ "interactions": row.get("Interactions"),
213
+ "ccd_protein": clean_scalar(row.get("CCD Protein")),
214
+ "ccd_transcript": clean_scalar(row.get("CCD Transcript")),
215
+ "blood_expression_cluster": clean_scalar(row.get("Blood expression cluster")),
216
+ "brain_expression_cluster": clean_scalar(row.get("Brain expression cluster")),
217
+ "cell_line_expression_cluster": clean_scalar(row.get("Cell line expression cluster")),
218
+ "single_cell_expression_cluster": clean_scalar(row.get("Single cell expression cluster")),
219
+ "tissue_expression_cluster": clean_scalar(row.get("Tissue expression cluster")),
220
+ "rna_tissue_specificity": clean_scalar(row.get("RNA tissue specificity")),
221
+ "rna_tissue_distribution": clean_scalar(row.get("RNA tissue distribution")),
222
+ "rna_tissue_specificity_score": score(row.get("RNA tissue specificity score")),
223
+ "rna_cell_line_specificity": clean_scalar(row.get("RNA cell line specificity")),
224
+ "rna_cell_line_distribution": clean_scalar(row.get("RNA cell line distribution")),
225
+ "rna_cell_line_specificity_score": score(row.get("RNA cell line specificity score")),
226
+ "rna_cancer_specificity": clean_scalar(row.get("RNA cancer specificity")),
227
+ "rna_cancer_distribution": clean_scalar(row.get("RNA cancer distribution")),
228
+ "rna_cancer_specificity_score": score(row.get("RNA cancer specificity score")),
229
+ "rna_single_cell_type_specificity": clean_scalar(row.get("RNA single cell type specificity")),
230
+ "rna_single_cell_type_distribution": clean_scalar(row.get("RNA single cell type distribution")),
231
+ "rna_single_cell_type_specificity_score": score(row.get("RNA single cell type specificity score")),
232
+ "rna_blood_cell_specificity": clean_scalar(row.get("RNA blood cell specificity")),
233
+ "rna_blood_cell_distribution": clean_scalar(row.get("RNA blood cell distribution")),
234
+ "rna_blood_cell_specificity_score": score(row.get("RNA blood cell specificity score")),
235
+ "prognostic_cancer_count": len(set(prognostic_cancers)),
236
+ "validated_prognostic_cancer_count": validated,
237
+ "potential_prognostic_cancer_count": potential,
238
+ "favorable_prognostic_cancers": sorted(set(favorable)),
239
+ "unfavorable_prognostic_cancers": sorted(set(unfavorable)),
240
+ "prognostic_cancers": sorted(set(prognostic_cancers)),
241
+ "source_row_index": wrapper.get("row_index"),
242
+ "split_bucket": stable_bucket(str(ensembl or gene or wrapper.get("row_index"))),
243
+ }
244
+ return entry, prognosis_rows, expression_rows
245
+
246
+
247
+ def build_dataset(raw_dir: Path, out_dir: Path) -> dict[str, Any]:
248
+ source = raw_dir / "tables/annotation_human_protein_atlas_proteinatlas.json.gz.jsonl"
249
+ rows = []
250
+ prognosis_rows = []
251
+ expression_rows = []
252
+ with source.open("r", encoding="utf-8") as handle:
253
+ for line in handle:
254
+ wrapper = json.loads(line)
255
+ entry, prognosis, expression = entry_row(wrapper)
256
+ rows.append(entry)
257
+ prognosis_rows.extend(prognosis)
258
+ expression_rows.extend(expression)
259
+
260
+ if out_dir.exists():
261
+ shutil.rmtree(out_dir)
262
+ data_dir = out_dir / "data"
263
+ metadata_dir = out_dir / "metadata"
264
+ data_dir.mkdir(parents=True, exist_ok=True)
265
+ metadata_dir.mkdir(parents=True, exist_ok=True)
266
+
267
+ df = pd.DataFrame.from_records(rows, columns=ENTRY_COLUMNS)
268
+ train = df[df["split_bucket"].ne(0)].sort_values("ensembl_id", kind="mergesort")
269
+ test = df[df["split_bucket"].eq(0)].sort_values("ensembl_id", kind="mergesort")
270
+ train.to_parquet(data_dir / "train-00000-of-00001.parquet", index=False, compression="zstd")
271
+ test.to_parquet(data_dir / "test-00000-of-00001.parquet", index=False, compression="zstd")
272
+
273
+ prognosis_df = pd.DataFrame.from_records(prognosis_rows, columns=PROGNOSIS_COLUMNS)
274
+ prognosis_df.to_parquet(metadata_dir / "cancer_prognostics.parquet", index=False, compression="zstd")
275
+ expression_df = pd.DataFrame.from_records(expression_rows, columns=EXPRESSION_COLUMNS)
276
+ expression_df.to_parquet(metadata_dir / "rna_expression_measurements.parquet", index=False, compression="zstd")
277
+
278
+ evidence_counts = df["evidence"].fillna("missing").value_counts().to_dict()
279
+ tissue_specificity_counts = df["rna_tissue_specificity"].fillna("missing").value_counts().to_dict()
280
+ location_counts = Counter(location for values in df["subcellular_main_locations"] for location in values)
281
+ protein_class_counts = Counter(item for values in df["protein_classes"] for item in values)
282
+ summary = {
283
+ "source": "LiteFold/HumanProteinAtlas",
284
+ "entry_rows": int(len(df)),
285
+ "cancer_prognostic_rows": int(len(prognosis_df)),
286
+ "rna_expression_measurement_rows": int(len(expression_df)),
287
+ "splits": {"train": int(len(train)), "test": int(len(test))},
288
+ "split_strategy": "deterministic sha256(ensembl_id) % 10; bucket 0 is test, buckets 1-9 are train",
289
+ "evidence_counts": {str(k): int(v) for k, v in evidence_counts.items()},
290
+ "rna_tissue_specificity_counts": {str(k): int(v) for k, v in tissue_specificity_counts.items()},
291
+ "top_subcellular_main_locations": dict(location_counts.most_common(20)),
292
+ "top_protein_classes": dict(protein_class_counts.most_common(20)),
293
+ "columns": ENTRY_COLUMNS,
294
+ "metadata_tables": [
295
+ "metadata/cancer_prognostics.parquet",
296
+ "metadata/rna_expression_measurements.parquet",
297
+ ],
298
+ }
299
+ (out_dir / "dataset_summary.json").write_text(json.dumps(summary, indent=2) + "\n", encoding="utf-8")
300
+ return summary
301
+
302
+
303
+ def main() -> None:
304
+ parser = argparse.ArgumentParser()
305
+ parser.add_argument("--raw-dir", type=Path, default=Path("LiteFold_HumanProteinAtlas_raw"))
306
+ parser.add_argument("--out-dir", type=Path, default=Path("LiteFold_HumanProteinAtlas_processed"))
307
+ args = parser.parse_args()
308
+ summary = build_dataset(args.raw_dir, args.out_dir)
309
+ print(json.dumps(summary, indent=2))
310
+
311
+
312
+ if __name__ == "__main__":
313
+ main()