SOURCES.md for every tracked directory, and drop the column nobody could define
Browse filesFive directories had no provenance file: expression, pmhc, proteome, tcga,
thymus. Each has one now, carrying measured facts rather than a description --
row counts, schemas, and the split between what is experimental and what is
computed.
The plan recorded this as "9 of 12 directories". It is 5 of 12: benchmark/,
dump/, raw/ and src/ are gitignored and never pushed, and .gitignore already
says why for each. Absence there is deliberate, not a gap.
proteome/SOURCES.md points at the README beside it rather than restating it --
that file already carries organism, UniProt ID, taxid, sequence count and the
exact fetch form for all 19 proteomes, and two copies of that would drift.
The `#` column in DESCRIPTION.md is gone from all 28 rows. It was undocumented,
inconsistent between column count / row count / dataset count, and the table's
own note told readers not to rely on it. A column the document disclaims is
better deleted than explained.
- DESCRIPTION.md +36 -33
- expression/SOURCES.md +23 -0
- pmhc/SOURCES.md +30 -0
- proteome/SOURCES.md +26 -0
- tcga/SOURCES.md +26 -0
- thymus/SOURCES.md +43 -0
|
@@ -54,45 +54,48 @@ per-dataset audits (rows, positives, negatives, HLA counts, donor counts, residu
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[`neoantigens/SOURCES.md`](neoantigens/SOURCES.md) Β·
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[`ligandome/SOURCES.md`](ligandome/SOURCES.md).
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-
| `summary.tsv` | β | Pipeline stats | row counts & extraction metrics |
|
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|
| 91 |
## Private (gitignored β NOT in this repo)
|
| 92 |
|
| 93 |
| Path | # | Dataset |
|
| 94 |
|------|---|---------|
|
| 95 |
-
| `gamaleya/patient_features.tsv.gz`, `gamaleya/hla_coverage.tsv.gz` |
|
| 96 |
|
| 97 |
An interactive, self-contained catalog of the public datasets (breakdowns by species, MHC
|
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class, source, category, tissue, and downstream tool) is in [`catalog.html`](catalog.html).
|
|
|
|
| 54 |
[`neoantigens/SOURCES.md`](neoantigens/SOURCES.md) Β·
|
| 55 |
[`ligandome/SOURCES.md`](ligandome/SOURCES.md).
|
| 56 |
|
| 57 |
+
Every tracked directory now carries one:
|
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+
[`expression/`](expression/SOURCES.md) Β· [`immunogenicity/`](immunogenicity/SOURCES.md) Β·
|
| 59 |
+
[`ligandome/`](ligandome/SOURCES.md) Β· [`neoantigens/`](neoantigens/SOURCES.md) Β·
|
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+
[`pmhc/`](pmhc/SOURCES.md) Β· [`proteome/`](proteome/SOURCES.md) Β· [`tcga/`](tcga/SOURCES.md) Β·
|
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+
[`thymus/`](thymus/SOURCES.md). The four directories without one β `benchmark/`, `dump/`, `raw/`,
|
| 62 |
+
`src/` β are gitignored and never pushed; `.gitignore` says why for each.
|
| 63 |
|
| 64 |
+
| Path | Dataset | One-line |
|
| 65 |
+
|------|---------|----------|
|
| 66 |
+
| `pmhc/pmhc_full.tsv.gz` | IEDB epitopeβMHC | positive IEDB MHC-ligand binding records (human IMGT/HLA + mouse H-2) |
|
| 67 |
+
| `pmhc/pmhc_shortlist.tsv.gz` | IEDB epitopeβMHC (β₯2 refs) | high-confidence pairs (β₯2 references) |
|
| 68 |
+
| `immunogenicity/chowell_rebuilt.tsv.gz` | Chowell corpus, rebuilt | 511,301 rows / 315,191 peptides, 19,866 immunogenic, 210 alleles, 8β11mers. Immunogenic vs **self** eluted ligands, rebuilt from the IEDB dump (Chowell et al., PNAS 2015, PMID 25831525). Carries a 6.9x cysteine artefact β see SOURCES.md |
|
| 69 |
+
| `immunogenicity/chowell_rebuilt_hla_matched.tsv.gz` | β¦HLA-matched | 115,592 rows; negatives down-sampled per allele to 5 per positive of that allele, seed 20260817 |
|
| 70 |
+
| `immunogenicity/kesmir_rebuilt.tsv.gz` | Kesmir/Calis corpus, rebuilt | 65,737 rows / 36,155 peptides, 22,613 immunogenic, 196 alleles. Immunogenic vs **non-self** eluted ligands (Calis et al., PLoS Comput Biol 2013, PMID 24204222). Requires `ligandome/viral_foreign_iedb.tsv.gz`; no cysteine artefact, but a 2x C-terminal Arg/Lys gradient |
|
| 71 |
+
| `immunogenicity/kesmir_rebuilt_hla_matched.tsv.gz` | β¦HLA-matched | 59,941 rows, same matching rule |
|
| 72 |
+
| `immunogenicity/iedb_labeled.tsv.gz` | IEDB immunogenicity β **ipred training set** | immunogenic (T-cell+, 34,362) vs non-immunogenic (MHC-ligand+ in healthy self, 756,506); `host_species` (human/mouse) is the cross-validation axis; ipred featurizes `peptide` (MJ/hydropathy/Kidera) |
|
| 73 |
+
| `neoantigens/neoag_tested.tsv.gz` | Neoantigens β tested (workhorse) | tested patient-derived neoantigens, immunogenicity 0/1 (TESLA, Neopep, CEDAR, Gfeller, ITSNdb, GBM, VACCIMEL, Bjerregaard). **Human only by label β see the mouse-contamination caveat below.** |
|
| 74 |
+
| `neoantigens/neoag_candidates.tsv.gz` | Neoantigens β candidates | untested neoantigen candidates (Neopep `not_tested`) |
|
| 75 |
+
| `neoantigens/neoag_tested_mmu.tsv.gz` | Neoantigens β tested, **mouse MHC** | 1,977 murine tested neo-epitopes (IEDB), immunogenicity 0/1 (740 immunogenic); `mhc_species=MusMusculus` |
|
| 76 |
+
| `neoantigens/neoag_tested_hsa.tsv.gz` | Neoantigens β tested, **human MHC in mouse models** | 717 rows from the same IEDB export whose restriction is HLA β HLA-transgenic mice plus human-host epitopes (KRAS G12D, CDK4 R24C, PMEL); `mhc_species=HomoSapiens` |
|
| 77 |
+
| `neoantigens/nci_complete_minigenes.tsv.gz` | Neoantigens β complete NCI screen (variant) | 1,326 mutant 25-mer minigenes across 46 GI-cancer patients with CD8/CD4 T-cell screen outcomes (28 CD8-immunogenic) β a predictor-agnostic *screened* set with real negatives. Standalone variant, **minigene-level** (`peptide` = minigene, `mhc_a` blank β not epitope-deconvolved). Source: KoΕaloΔlu-YalΓ§Δ±n et al., iScience 2022, Table S6 ([doi:10.1016/j.isci.2022.103850](https://doi.org/10.1016/j.isci.2022.103850), PMID 35128348) |
|
| 78 |
+
| `neoantigens/neoantigens_tested_peptides.tsv.gz` | Neoantigens β tested, **epitope-level** | 423,085 screened 8β12mers with their wild-type counterpart and restricting alleles, 178 CD8-immunogenic, 98 patients, over three datasets (`NCI` 420,786 Β· `HiTIDE` 1,563 Β· `TESLA` 736) and the authors' own `split`. This is the screen at the resolution a pMHC model is scored at β the complement to the minigene-level `nci_complete`. Harmonized from `raw/immunogenicity/NCI_dataset_only_tested.txt` by `bench/neoag/ingest_tested.py` (2026-mhcmatch-benchmark). Predicted quantities keep a `pred_` prefix; `peptide`, `peptide_wt`, `mhc_a` and `immunogenicity` are as-reported |
|
| 79 |
+
| `neoantigens/nci_gartner_mmp.tsv.gz` | NCI β confirmed CD8+ minimal epitopes | 147 rows / 144 distinct minimal mutant peptides (mmp) with restricting HLA; 120 carry the wild-type mmp, so agretopicity is **measurable rather than predicted**. `split` preserves the paper's train/test. Source: Gartner et al., Nat Cancer 2021, Suppl. Tables 3 & 20 ([doi:10.1038/s43018-021-00197-6](https://doi.org/10.1038/s43018-021-00197-6)) |
|
| 80 |
+
| `neoantigens/nci_gartner_nmers.tsv.gz` | NCI β full screened nmer universe | 9,541 screened mutations as WT/mutant 25-mers (144 CD8+), with gene, mutation type, RNA-seq presence and exome VAF decile β the negative universe at the unit the assay used. Same source, Suppl. Tables 11 & 12 |
|
| 81 |
+
| `neoantigens/nci_gartner_samples.tsv.gz` | NCI β patient class-I genotypes | 98 patients with full HLA-A/B/C genotype, histology and per-patient screening counts. The genotype is what makes a per-patient allele-aware scan possible. Same source, Suppl. Tables 1 & 18 |
|
| 82 |
+
| `tcga/tcga_neoantigens.tsv.gz` | TCGA neoantigens | 2.24M expressed mutant-peptideβHLA binders across 8,505 TCGA donors (derived from open-access TCGA somatic + expression; per-barcode HLA/neoantigens as in TCIA / Thorsson 2018) |
|
| 83 |
+
| `immunogenicity/hla_pop_freqs.tsv.gz` | HLA population freqs | EUR/ASN/AFR class-I (A/B/C) allele frequencies (AFND) |
|
| 84 |
+
| `proteome/human.fasta.gz` | Human proteome (UP000005640) | self-reference proteome for similarity search |
|
| 85 |
+
| `proteome/mouse.fasta.gz` | Mouse proteome (UP000000589) | C57BL/6 self-reference proteome |
|
| 86 |
+
| `proteome/*_UP*.fasta.gz` | 16 bacterial + viral reference proteomes | foreign-antigen references for molecular-mimicry scans and peptide-flank extraction; see `proteome/README.md` |
|
| 87 |
+
| `thymus/thymus_immunopeptidome.tsv.gz` | Thymus self-peptidome (human) | HLA Ligand Atlas thymus-eluted self peptides (25.9k MHC-I + 28.0k MHC-II) β central-tolerance "self" reference for seqtree; fills the mislabeled source #1 |
|
| 88 |
+
| `thymus/thymus_expression.tsv.gz` | Thymus expression (human) | thymically expressed self: HPA thymus-cluster genes (126) + atlas thymus source proteins (10.4k) |
|
| 89 |
+
| `ligandome/viral_foreign_iedb.tsv.gz` | Viral ligandome (IEDB) | viral-source presented peptides (foreign reference) |
|
| 90 |
+
| `ligandome/viral_orfs_gse272406.tsv.gz` | Pan-viral ORFs (GSE272406) | translated novel viral ORF proteins (foreign; *not* thymus self β spec mislabel) |
|
| 91 |
+
| `ligandome/cancer_targets_tsarina.tsv.gz` | Cancer-testis antigens | curated shared tumor-antigen genes (tsarina) |
|
| 92 |
+
| `summary.tsv` | Pipeline stats | row counts & extraction metrics |
|
|
|
|
| 93 |
|
| 94 |
## Private (gitignored β NOT in this repo)
|
| 95 |
|
| 96 |
| Path | # | Dataset |
|
| 97 |
|------|---|---------|
|
| 98 |
+
| `gamaleya/patient_features.tsv.gz`, `gamaleya/hla_coverage.tsv.gz` | Gamaleya patient candidates + features (17 patients) β real cohort, never published |
|
| 99 |
|
| 100 |
An interactive, self-contained catalog of the public datasets (breakdowns by species, MHC
|
| 101 |
class, source, category, tissue, and downstream tool) is in [`catalog.html`](catalog.html).
|
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| 1 |
+
# `expression/` β sources
|
| 2 |
+
|
| 3 |
+
One file, two references that are **never merged** β different measurements, different units, and a
|
| 4 |
+
gene-keyed table and a peptide-keyed one are not the same object.
|
| 5 |
+
|
| 6 |
+
| | |
|
| 7 |
+
|---|---|
|
| 8 |
+
| file | `reference_expression.tsv.gz` |
|
| 9 |
+
| rows | 5,656,063 |
|
| 10 |
+
| schema | `key`, `key_type`, `source`, `context`, `median_tpm`, `q25_tpm`, `q75_tpm`, `n` |
|
| 11 |
+
| provenance | **experimental** (both sources are measured RNA-seq); the per-context median/IQR/`n` are **computed** summaries of it |
|
| 12 |
+
|
| 13 |
+
| `source` | `key_type` | rows | contexts | what a row is |
|
| 14 |
+
|---|---|--:|--:|---|
|
| 15 |
+
| `gtex` | `gene` | 3,955,284 | 53 | a gene's expression across normal tissue β the **safety** read |
|
| 16 |
+
| `tcga` | `peptide` | 1,700,779 | 19 | a mutant peptide's expression by tumour type β the **target** read |
|
| 17 |
+
|
| 18 |
+
`key_type` is the join key and it differs by source on purpose: GTEx answers "is this gene on in
|
| 19 |
+
normal tissue", TCGA answers "is this neoantigen transcribed in this tumour". A caller that treats
|
| 20 |
+
them as one column is asking a question neither answers.
|
| 21 |
+
|
| 22 |
+
Read through `mhcmatch.expression` (`lookup`, `tissues`, `tumor_types`, `safety_profile`), which
|
| 23 |
+
keeps the two apart. Fetched by `mhcmatch bootstrap --reference` (~105 MB).
|
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|
| 1 |
+
# `pmhc/` β sources
|
| 2 |
+
|
| 3 |
+
The reference ligand panel every `mhcmatch.Store` is built from. **Experimental**: positive IEDB
|
| 4 |
+
MHC-ligand records, harmonised; nothing here is predicted.
|
| 5 |
+
|
| 6 |
+
| file | rows | what it is |
|
| 7 |
+
|---|--:|---|
|
| 8 |
+
| `pmhc_full.tsv.gz` | 1,482,188 | every positive IEDB epitopeβMHC record |
|
| 9 |
+
| `pmhc_shortlist.tsv.gz` | 645,102 | the subset supported by **β₯2 references** |
|
| 10 |
+
|
| 11 |
+
Schema: `epitope`, `gene`, `species`, `mhc_a`, `mhc_b`, `mhc_class`, `mhc_species`, `reference_id`,
|
| 12 |
+
`n_references`.
|
| 13 |
+
|
| 14 |
+
`pmhc_full.tsv.gz` composition:
|
| 15 |
+
|
| 16 |
+
| class | host | rows |
|
| 17 |
+
|---|---|--:|
|
| 18 |
+
| MHCI | HomoSapiens | 1,040,631 |
|
| 19 |
+
| MHCII | HomoSapiens | 327,487 |
|
| 20 |
+
| MHCI | MusMusculus | 97,601 |
|
| 21 |
+
| MHCII | MusMusculus | 16,469 |
|
| 22 |
+
|
| 23 |
+
**The two tiers are a precision/recall choice, not a quality ranking.** `shortlist` drops
|
| 24 |
+
single-reference pairs, which removes both the noise and the rare alleles that only one study ever
|
| 25 |
+
reported β so it is the better background and the worse coverage. `full` is the default;
|
| 26 |
+
`Store.from_pmhc(tier="shortlist")` selects the other.
|
| 27 |
+
|
| 28 |
+
```zsh
|
| 29 |
+
mhcmatch bootstrap --tier all # fetches both, ~16 MB
|
| 30 |
+
```
|
|
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|
| 1 |
+
# `proteome/` β sources
|
| 2 |
+
|
| 3 |
+
**Provenance lives in [`README.md`](README.md)** beside this file, and is not repeated here: it
|
| 4 |
+
carries every proteome's organism, UniProt proteome ID, taxid, sequence count and gzipped size, plus
|
| 5 |
+
the exact fetch form (UniProt REST `?query=(proteome:<UPID>)&format=fasta`, or the
|
| 6 |
+
reference_proteomes FTP). All 19 files are **experimental** sequence, unmodified.
|
| 7 |
+
|
| 8 |
+
Summary: `human.fasta.gz` (UP000005640, 147,506 seqs) and `mouse.fasta.gz` (UP000000589, 54,857) are
|
| 9 |
+
the **full** proteomes including isoforms and TrEMBL; the other 16 are canonical **reference**
|
| 10 |
+
proteomes β 5 bacterial and 11 viral, 16,467 sequences in total β for molecular-mimicry scans and
|
| 11 |
+
peptide-flank extraction.
|
| 12 |
+
|
| 13 |
+
```zsh
|
| 14 |
+
mhcmatch bootstrap --proteome human,mouse,ecoli_K12_UP000000625
|
| 15 |
+
```
|
| 16 |
+
|
| 17 |
+
Two traps the README records and that are easy to reintroduce:
|
| 18 |
+
|
| 19 |
+
- **UP000007639 is EBV strain AG876, not HHV-7**, despite the adjacency of the IDs. The genuine
|
| 20 |
+
HHV-7 reference is UP000098510 (strain RK, 84 proteins).
|
| 21 |
+
- Two EBV strains are present on purpose (B95-8 and AG876); they are not duplicates.
|
| 22 |
+
|
| 23 |
+
**Size is the operational fact.** The human proteome has 68,389,335 nine-mer windows β every
|
| 24 |
+
position of every protein, because a source lookup is a question about *where* β and one seqtree
|
| 25 |
+
index over them costs ~12.6 GB. Ask for the lengths you need
|
| 26 |
+
(`mhcmatch.proteome.Proteome.find_sources` builds one index per distinct query length).
|
|
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|
| 1 |
+
# `tcga/` β sources
|
| 2 |
+
|
| 3 |
+
Pan-cancer neoantigen predictions over open-access TCGA. **Derived, not measured** β every row is a
|
| 4 |
+
prediction, and the only experimental inputs behind it are the TCGA somatic calls, expression and
|
| 5 |
+
per-barcode HLA genotypes.
|
| 6 |
+
|
| 7 |
+
| file | rows | what it is |
|
| 8 |
+
|---|--:|---|
|
| 9 |
+
| `tcga_neoantigens.tsv.gz` | 2,244,779 | expressed mutant peptide Γ HLA binders, 8,505 donors |
|
| 10 |
+
| `hla_coverage.tsv.gz` | 353 | per-allele donor counts, donor fraction, allele frequency, epitope counts |
|
| 11 |
+
|
| 12 |
+
`tcga_neoantigens` schema: `sample`, `peptide`, `mhc_a`, `affinity`, `expression`, `ensp`,
|
| 13 |
+
`mhc_class`, `mhc_species`, `source_species`, `host_species`, `immunogenicity`, `dataset_origin`,
|
| 14 |
+
`cancer_type`.
|
| 15 |
+
|
| 16 |
+
Derived from open-access TCGA somatic + expression data, with per-barcode HLA genotypes and
|
| 17 |
+
neoantigen calls as published by TCIA / Thorsson et al. 2018. **No controlled-access data is used or
|
| 18 |
+
reproduced here**, which is why this directory is public while the NCI intermediates (dbGaP
|
| 19 |
+
phs001003) never leave local disk.
|
| 20 |
+
|
| 21 |
+
**`immunogenicity` in this file is a prediction, not an assay result.** Nothing in TCGA was
|
| 22 |
+
T-cell-screened. Use it as a candidate universe and a per-allele prevalence reference; a model
|
| 23 |
+
validated against it has been validated against another model.
|
| 24 |
+
|
| 25 |
+
`hla_coverage.tsv.gz` is what makes an allele-aware scan honest: it says how many donors carry each
|
| 26 |
+
allele, so a per-allele result can be weighted by how much of the cohort it actually covers.
|
|
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| 1 |
+
# `thymus/` β sources
|
| 2 |
+
|
| 3 |
+
The central-tolerance reference: what a developing T-cell repertoire was negatively selected
|
| 4 |
+
against. Both files are **experimental** (mass spectrometry / antibody-based expression); the
|
| 5 |
+
harmonisation into this schema is computed.
|
| 6 |
+
|
| 7 |
+
## `thymus_immunopeptidome.tsv.gz` β 53,878 rows
|
| 8 |
+
|
| 9 |
+
Thymus-eluted self peptides, **HLA Ligand Atlas** (`dataset_origin = hla_ligand_atlas_thymus`).
|
| 10 |
+
|
| 11 |
+
| `mhc_class` | rows |
|
| 12 |
+
|---|--:|
|
| 13 |
+
| MHCII | 27,987 |
|
| 14 |
+
| MHCI | 25,891 |
|
| 15 |
+
|
| 16 |
+
Schema: `peptide`, `mhc_a`, `mhc_class`, `mhc_species`, `source_protein`, `species`,
|
| 17 |
+
`dataset_origin`. Human only.
|
| 18 |
+
|
| 19 |
+
**A hit here is a tolerance argument and an autoimmunity flag, and those are the same fact read two
|
| 20 |
+
ways**: a neoantigen resembling a thymically presented peptide had its reactive clones plausibly
|
| 21 |
+
deleted (lower expected immunogenicity), and a vaccine built on it risks cross-reacting with self.
|
| 22 |
+
`mhcmatch.mimics` keeps it as its own category for exactly that reason and never sums it with the
|
| 23 |
+
foreign ones β see `mhcmatch.mimics.KINDS`.
|
| 24 |
+
|
| 25 |
+
## `thymus_expression.tsv.gz` β 10,493 rows
|
| 26 |
+
|
| 27 |
+
Thymically expressed self, by gene. Schema: `gene`, `species`, `evidence`, `value`.
|
| 28 |
+
|
| 29 |
+
| `evidence` | rows | what it is |
|
| 30 |
+
|---|--:|---|
|
| 31 |
+
| `hla_ligand_atlas_thymus_source` | 10,367 | source proteins of the peptides above |
|
| 32 |
+
| `hpa_thymus_cluster` | 126 | Human Protein Atlas thymus-cluster genes |
|
| 33 |
+
|
| 34 |
+
The two lines of evidence are kept in a column rather than pooled: one is "a peptide from this
|
| 35 |
+
protein was eluted from thymus", the other is "this gene is thymus-enriched by expression". They
|
| 36 |
+
support each other; they are not interchangeable.
|
| 37 |
+
|
| 38 |
+
## Not here
|
| 39 |
+
|
| 40 |
+
**No mouse thymus reference.** The candidate deposits do not survive contact: the mouse thymus
|
| 41 |
+
proteome (PXD007288) is a 12 GB MaxQuant archive and the mTEC-TRA gene list (Sansom, GSE53111) is
|
| 42 |
+
journal-supplement-only, so a mouse pass means reprocessing raw spectra. Recorded in
|
| 43 |
+
`DESCRIPTION.md` and open in the benchmark repo's TODO β **absent, not overlooked**.
|