biocompare 0.1.0

Format-aware concordance reports for bioinformatics pipeline outputs.

biocompare

biocompare is a Python toolkit for comparing bioinformatics pipeline outputs with semantic, format-aware metrics. Instead of only checking whether files are byte-for-byte identical, it measures whether two runs agree in biologically or analytically meaningful ways.

Project website: https://qchiujunhao.github.io/biocompare/

Status: alpha. The core comparison model and initial comparators are usable, but APIs and metrics may change as more bioinformatics formats and workflows are validated.

This repository currently implements the Phase 1 vertical slice:

• a shared ConcordanceReport model
• comparator registry with plugin entry point support
• file type detection for common bioinformatics and tabular formats
• a differential expression result comparator
• a count/expression matrix comparator
• a normalized expression matrix comparator
• a BED interval comparator
• a FASTA/FASTQ sequence comparator
• a lightweight VCF comparator with ALT splitting and minimal allele trimming
• a samtools flagstat/samtools stats comparator
• a generic CSV/TSV table comparator
• JSON/text report writers
• a command-line interface
• automated tests with unittest

Quickstart

python3 -m biocompare compare tests/fixtures/table_a.tsv tests/fixtures/table_b.tsv --key gene_id

Write a report to disk:

python3 -m biocompare compare tests/fixtures/table_a.tsv tests/fixtures/table_b.tsv \
  --key gene_id \
  --output report.json

Compare differential expression tables:

python3 -m biocompare compare tests/fixtures/degs_tool_a.tsv tests/fixtures/degs_tool_b.tsv \
  --type deg \
  --alpha 0.05

Compare count matrices:

python3 -m biocompare compare tests/fixtures/counts_a.tsv tests/fixtures/counts_b.tsv \
  --type counts

Compare normalized expression matrices:

python3 -m biocompare compare tests/fixtures/expression_tpm_a.tsv tests/fixtures/expression_tpm_b.tsv \
  --type expression

Compare BED intervals:

python3 -m biocompare compare tests/fixtures/peaks_a.bed tests/fixtures/peaks_b.bed \
  --type bed \
  --min-reciprocal-overlap 0.5

Compare FASTA sequences:

python3 -m biocompare compare tests/fixtures/sequences_a.fa tests/fixtures/sequences_b.fa \
  --type fasta

Compare VCF calls:

python3 -m biocompare compare tests/fixtures/calls_a.vcf tests/fixtures/calls_b.vcf \
  --type vcf

Optionally provide a reference FASTA for simple repeated-indel left alignment:

python3 -m biocompare compare calls_a.vcf calls_b.vcf \
  --type vcf \
  --reference-fasta reference.fa

Compare alignment summary statistics:

python3 -m biocompare compare tests/fixtures/flagstat_a.txt tests/fixtures/flagstat_b.txt \
  --type bam_stats

Run the tests:

python3 -m unittest discover -s tests

Install development tooling:

python3 -m pip install -e ".[dev]"
python3 -m ruff check .
python3 -m coverage run -m unittest discover -s tests
python3 -m coverage report

Run a batch comparison from a manifest:

python3 -m biocompare batch tests/fixtures/batch_manifest.tsv --format text

The manifest must contain file_a and file_b columns. Optional columns are label and type.

Use --min-concordance in CI to fail when any comparison falls below a chosen threshold:

python3 -m biocompare batch tests/fixtures/batch_manifest.tsv --min-concordance 0.95

Write an HTML report:

python3 -m biocompare compare tests/fixtures/peaks_a.bed tests/fixtures/peaks_b.bed \
  --type bed \
  --format html \
  --output report.html

Batch reports also support --format html.

Plugin Model

Comparators subclass biocompare.comparators.base.Comparator and return a biocompare.core.report.ConcordanceReport. Third-party packages can register comparators with the biocompare.comparators entry point group.

Documentation

Additional documentation is available on the project website and in docs/, including API notes, design rationale, and tutorials for regression testing, RNA-seq outputs, variant calls, and BED peak comparisons.

Citation and Paper Draft

Citation metadata is available in CITATION.cff. A draft JOSS-style paper is available under paper/.