homeobox 0.2.6

Multimodal biomedical atlas builder

Homeobox

Homeobox is a database for multimodal biomedical atlases that do not fit cleanly into one matrix, one modality, or one shared feature space.

A single Homeobox atlas can hold sparse single-cell gene expression, dense protein and embedding features, 2D/3D/4D/5D images, biomolecular structures, free text, and auxiliary metadata tables. You can query it, snapshot it, reconstruct results as AnnData / MuData, and stream batches to PyTorch without creating separate ML-only copies.

Under the hood, Homeobox combines the search and versioning capabilities of LanceDB with the array storage of Zarr.

• Quick install: pip install homeobox
• Documentation

How it compares to existing tools

If your main problem is...	You probably want...
Querying, versioning, reconstructing, and training from many heterogeneous biomedical datasets with different feature spaces	Homeobox
Dissatisfaction with TileDB ML-support and developer experience	Homeobox
Analyzing one clean matrix or a small number of aligned modalities	AnnData / MuData directly
Metadata, vector, or text search without large array payloads	LanceDB, a vector database, or a regular database

At a glance

Multimodal storage	ML-ready access
Gene expression, chromatin accessibility, protein abundance Images, image features, embeddings Biomolecular structures and text	Fully random iterable streaming for throughput Map-style random access for arbitrary samplers No intermediate training-only copies

Query and reconstruction	Reproducibility
SQL / vector / full-text search over LanceDB metadata Reconstruct query results as AnnData or MuData Zarr-backed sparse and dense payloads	Explicit snapshot() / checkout(version) lifecycle Read-only atlas views for training and analysis See docs/versioning.md

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The Ragged Atlas

The core abstraction in Homeobox is the Ragged Atlas, which is designed to support heterogeneous datasets without shared feature spaces. Some motivating use cases are:

• Hundreds or thousands of h5ad or h5mu files from different assays, panels, and organisms that you want to query and train on as a single collection.
• Repositories of large images stored in Zarr / OME-Zarr, DICOM, or TIFF — 2D, 3D, or 4D, sometimes >1 TB each, with associated text descriptions.
• Single-cell images, masks, and associated feature data (e.g. CellProfiler vectors).
• Any combination of the above, in one queryable store.

Existing tools optimize for single large datasets from one modality. Homeobox's RaggedAtlas allows a shared obs table and search indexes while letting each dataset retain its own feature axis.

At query time, reconstruction joins the feature spaces on the fly and returns a single AnnData / MuData with every column correctly placed.

---

Installation

Prebuilt wheels are available on PyPI. Requires Python 3.12 or newer.

pip install homeobox          # core: atlas, querying, ingestion
pip install homeobox[ml]      # + PyTorch dataloader
pip install homeobox[io]      # + S3/GCS/Azure
pip install homeobox[viz]     # + marimo, matplotlib
pip install homeobox[all]     # everything

The quickstart below also uses scanpy to fetch a small example dataset:

pip install scanpy

To build from source (requires a Rust toolchain):

curl -LsSf https://astral.sh/uv/install.sh | sh
curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh
uv sync
uv run maturin develop --release

---

Example Notebooks

Notebook	Description
explore_perturbation_atlas_colab.py (Colab)	Explore an atlas with 120M+ cells, over 130,000 genetic, chemical, and biologic perturbations, and 5 modalities.

---

Quickstart

import numpy as np
import pandas as pd
import polars as pl
import scanpy as sc
import homeobox as hox

# 1. Define schemas: one for gene features, one for cell metadata.
#    `StableUIDField` marks `gene_symbol` as the deterministic source of
#    `uid` (so parallel ingest jobs converge on the same uid for the same
#    gene). Each pointer column is declared with `PointerField.declare`,
#    which binds the column name to a registered feature_space.
class GeneFeature(hox.FeatureBaseSchema):
    gene_symbol: str = hox.StableUIDField.declare(default=...)

class CellSchema(hox.HoxBaseSchema):
    gene_expression: hox.SparseZarrPointer | None = hox.PointerField.declare(
        feature_space="gene_expression"
    )

# 2. Create an atlas
atlas = hox.create_or_open_atlas(
    atlas_path="./hox_example_atlas",
    obs_schemas={"cells": CellSchema},
    dataset_table_name="datasets",
    dataset_schema=hox.DatasetSchema,
    registry_schemas={"gene_expression": GeneFeature},
)

# 3. Load a dataset
adata = sc.datasets.pbmc3k()  # 2,700 PBMCs, raw counts, sparse CSR
adata.X = adata.X.astype(np.uint32)  # the counts layer must be np.uint32

# 4. Build the var DataFrame (one row per local feature, columns matching
#    the registry schema + `uid`), use it for both feature registration and
#    as adata.var. `compute_stable_uids` writes deterministic uids in place.
var_df = pd.DataFrame(
    {"gene_symbol": adata.var_names.tolist()},
    index=adata.var_names,
)
GeneFeature.compute_stable_uids(var_df)
atlas.register_features("gene_expression", pl.from_pandas(var_df))
adata.var = var_df

# 5. Ingest. `field_name` selects the cell-schema column to populate;
#    its feature_space is resolved from PointerField.declare.
record = hox.DatasetSchema(
    zarr_group="pbmc3k", feature_space="gene_expression", n_rows=adata.n_obs,
)
hox.add_from_anndata(
    atlas, adata, field_name="gene_expression",
    zarr_layer="counts", dataset_record=record,
)

# 6. Optimize tables and create a snapshot
atlas.optimize()
atlas.snapshot()

# 7. Open the atlas and query
atlas_r = hox.RaggedAtlas.checkout_latest("./hox_example_atlas")
result = atlas_r.query().limit(500).to_anndata()
print(result)  # AnnData object with n_obs × n_vars = 500 × 32738

Multimodal in one row

The same shape scales to any number of modalities — declare one pointer column per feature space on a single obs schema:

class MultimodalCell(hox.HoxBaseSchema):
    # Shared obs fields
    cell_type: str | None
    tissue: str | None

    # Optional pointers — cells measured by only one assay are first-class,
    # no padding rows, no presence flags inserted at ingest.
    gene_expression: hox.SparseZarrPointer | None = hox.PointerField.declare(
        feature_space="gene_expression"
    )
    protein_abundance: hox.DenseZarrPointer | None = hox.PointerField.declare(
        feature_space="protein_abundance"
    )
    image_tiles: hox.DenseZarrPointer | None = hox.PointerField.declare(
        feature_space="image_tiles"
    )

A query against this atlas streams within-row multimodal batches through a single DataLoader, regardless of how many modalities each cell has. See homeobox_examples/multimodal_perturbation_atlas/schema.py for a five-modality production schema (gene expression, chromatin accessibility, protein abundance, image features, image tiles) plus perturbation, publication, and donor tables.

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Dataloaders and performance

Homeobox is intended to be the source of truth for analysis and model training, not just a staging format. The same snapshot you query can feed a PyTorch training loop.

Homeobox exposes two PyTorch dataset surfaces over the same atlas:

• Homeobox-Iter: fully random iterable streaming. It reads large shuffled I/O blocks through a background prefetcher and slices training batches from that queue, which maximizes throughput for standard full-atlas training epochs.
• Homeobox-Map: map-style random access. It supports __getitem__(indices) so regular PyTorch samplers, group-aware samplers, custom subsets, and perturbation-style batches can read arbitrary rows.

Capability summary from the benchmark suite:

System	Map-style	Remote storage	Training-only format	Versioned snapshots	Ragged features
Homeobox-Map	✓	✓	–	✓	✓
Homeobox-Iter	–	✓	–	✓	✓
SLAF	–	✓	–	✓	–
scDataset	–	–	–	–	–
AnnDataLoader	✓	–	–	–	–
AnnLoader	✓	–	–	–	–
BioNeMo SCDL	✓	–	✓	–	–
annbatch	–	✓	✓	–	–
TileDB-SOMA	–	✓	–	✓	–
cell-load	–	–	✓	–	–

In this table, "training-only format" means the data must be copied into a layout that exists only to feed a training loop; a dash is better. "Ragged features" means datasets with different feature sets can coexist without padding to a union or intersecting to common features.

On a 1M-cell × 20k-gene synthetic atlas, the homeobox iterable dataloader sustains ~70k cells/sec on local NVMe and ~40k cells/sec streaming from S3 at a single worker — saturating local disk and running roughly an order of magnitude faster than the next remote-capable system in the sweep.

Local throughput on NVMe, cells/sec at workers=0:

System	b=64	b=512	b=4096
Homeobox-Iter	69,658	73,171	72,548
annbatch	56,154	67,459	76,314
BioNeMo SCDL	5,455	72,570	66,124
scDataset	28,151	41,525	52,923
SLAF	30,118	33,374	37,940
AnnDataLoader	21,446	25,926	26,403
Homeobox-Map	9,553	22,749	25,049
TileDB-SOMA	11,268	11,972	12,153
AnnLoader	10,509	12,699	10,656

Remote throughput from S3, cells/sec at workers=0:

System	b=64	b=512	b=4096
Homeobox-Iter	40,378	42,344	41,453
SLAF	3,611	4,233	10,320
TileDB-SOMA	5,873	5,845	5,945
Homeobox-Map	576	1,884	3,300
annbatch	1,050	1,314	1,594

Perturbation-style group-aware random reads, cells/sec at workers=0:

System	b=64	b=512	b=1024
Homeobox-Map	9,842	13,677	12,265
cell-load	4,936	26,678	27,096

See docs/dataloader_benchmark.md for the full sweep across nine dataloaders (SLAF, scDataset, BioNeMo SCDL, annbatch, TileDB-SOMA, cell-load, and the two homeobox surfaces), including local/remote/perturbation workloads, memory profiles, and reproducible scripts.