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lamindb-data-management

GitHub

LaminDB是面向生物学的开源数据管理框架,支持数据版本控制、谱系追踪、本体验证及FAIR原则。适用于多组学数据集管理、元数据标准化及与Nextflow等工具集成,确保数据可查询、可追溯和可复用。

skills/systems-biology-multiomics/lamindb-data-management/SKILL.md jaechang-hits/SciAgent-Skills

触发场景

管理生物学数据集(如scRNA-seq)的版本与存储 追踪代码产生数据的计算谱系 使用本体验证生物数据元数据 构建可查询的生物数据湖仓

安装

npx skills add jaechang-hits/SciAgent-Skills --skill lamindb-data-management -g -y
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非标准路径

npx skills add https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/systems-biology-multiomics/lamindb-data-management -g -y

不安装直接使用

npx skills use jaechang-hits/SciAgent-Skills@lamindb-data-management

指定 Agent (Claude Code)

npx skills add jaechang-hits/SciAgent-Skills --skill lamindb-data-management -a claude-code -g -y

安装 repo 全部 skill

npx skills add jaechang-hits/SciAgent-Skills --all -g -y

预览 repo 内 skill

npx skills add jaechang-hits/SciAgent-Skills --list

SKILL.md

Frontmatter
{
    "name": "lamindb-data-management",
    "license": "Apache-2.0",
    "description": "Open-source FAIR biology data framework. Version artifacts (AnnData, DataFrame, Zarr), track lineage, validate via ontologies (Bionty), query datasets. Integrates with Nextflow, Snakemake, W&B, scVI. For scRNA-seq use scanpy; for ontology lookups use bionty."
}

LaminDB — Biological Data Management

Overview

LaminDB is an open-source data framework for biology that makes data queryable, traceable, and FAIR (Findable, Accessible, Interoperable, Reusable). It combines data lakehouse architecture, lineage tracking, biological ontology validation, and a unified Python API for managing biological datasets from raw files to annotated, curated artifacts.

When to Use

  • Managing and versioning biological datasets (scRNA-seq, spatial, flow cytometry, multi-modal)
  • Tracking computational lineage (which code produced which data)
  • Validating and curating data against biological ontologies (cell types, genes, tissues, diseases)
  • Building queryable data lakehouses across multiple experiments
  • Ensuring reproducibility with automatic environment and provenance capture
  • Integrating with workflow managers (Nextflow, Snakemake) or MLOps (W&B, MLflow)
  • Standardizing metadata with ontology-based annotation (Bionty)
  • For single-cell analysis pipelines (clustering, DE), use scanpy instead
  • For ontology lookups only without data management, use bionty directly

Prerequisites

pip install lamindb
# With extras for specific data types
pip install 'lamindb[bionty,zarr,fcs]'

Setup: Requires instance initialization before use:

lamin login
lamin init --storage ./my-data --name my-project
# Or with cloud storage:
# lamin init --storage s3://my-bucket --name my-project --db postgresql://...

Instance types: Local SQLite (development), Cloud + SQLite (small teams), Cloud + PostgreSQL (production).

Quick Start

import lamindb as ln

ln.track()  # Start lineage tracking

# Save an artifact
import pandas as pd
df = pd.DataFrame({"gene": ["TP53", "BRCA1"], "score": [0.95, 0.87]})
artifact = ln.Artifact.from_df(df, key="results/gene_scores.parquet", description="Gene importance scores")
artifact.save()
print(f"Saved: {artifact.uid}, size: {artifact.size}")

# Query artifacts
results = ln.Artifact.filter(key__startswith="results/").df()
print(f"Found {len(results)} artifacts")

ln.finish()

Core API

1. Artifacts — Data Objects

Artifacts are versioned data objects (files, DataFrames, AnnData, arrays).

import lamindb as ln
import pandas as pd
import anndata as ad

ln.track()

# From DataFrame
df = pd.DataFrame({"sample": ["A", "B"], "value": [1.5, 2.3]})
artifact = ln.Artifact.from_df(df, key="experiments/batch1.parquet").save()
print(f"ID: {artifact.uid}, Version: {artifact.version}")

# From AnnData
adata = ad.read_h5ad("counts.h5ad")
artifact = ln.Artifact.from_anndata(adata, key="scrna/batch1.h5ad", description="scRNA-seq batch 1").save()

# From file path
artifact = ln.Artifact("results/figure.png", key="figures/fig1.png").save()

# Load back
df_loaded = artifact.load()  # Returns DataFrame/AnnData/etc.
path = artifact.cache()       # Returns local file path
# Versioning
artifact_v2 = ln.Artifact.from_df(df_updated, key="experiments/batch1.parquet", revises=artifact).save()
print(f"v1: {artifact.uid}, v2: {artifact_v2.uid}")
print(f"Latest version: {artifact_v2.is_latest}")

# Delete (archive first, then permanent)
artifact.delete(permanent=False)  # Archive
# artifact.delete(permanent=True)  # Permanent deletion

2. Lineage Tracking

Automatic provenance capture for reproducibility.

import lamindb as ln

# Start tracking — captures notebook/script, environment, user
ln.track(params={"method": "PCA", "n_components": 50})

# All artifacts created within this block are linked to this run
input_data = ln.Artifact.get(key="raw/counts.h5ad")
adata = input_data.load()

# ... analysis code ...

output = ln.Artifact.from_anndata(adata, key="processed/pca.h5ad").save()

# View lineage graph
output.view_lineage()

ln.finish()  # Finalize tracking

3. Querying and Filtering

Search and filter artifacts by metadata, features, and annotations.

import lamindb as ln

# Basic filtering
artifacts = ln.Artifact.filter(key__startswith="scrna/").df()
print(f"Found {len(artifacts)} scRNA-seq artifacts")

# Filter by metadata
recent = ln.Artifact.filter(
    created_at__gte="2026-01-01",
    size__gt=1000000
).df()

# Filter by annotated features
immune = ln.Artifact.filter(
    cell_types__name="T cell",
    tissues__name="PBMC"
).df()

# Single record retrieval
artifact = ln.Artifact.get(key="results/final.parquet")  # Exact match, raises if not found
artifact = ln.Artifact.filter(key="results/final.parquet").one_or_none()  # Returns None if missing

# Full-text search
results = ln.Artifact.search("gene expression PBMC")

# Streaming large files (without full load into memory)
artifact = ln.Artifact.get(key="large_dataset.h5ad")
backed = artifact.open()  # AnnData-backed mode
subset = backed[backed.obs["cell_type"] == "B cell"]

4. Annotation and Validation

Curate datasets against schemas and ontology terms.

import lamindb as ln
import bionty as bt

# Annotate artifacts with features
artifact = ln.Artifact.get(key="scrna/batch1.h5ad")
artifact.features.add_values({
    "tissue": "PBMC",
    "condition": "treated",
    "organism": "human",
    "batch": 1
})

# Validate with schema
curator = ln.curators.AnnDataCurator(adata, schema)
try:
    curator.validate()
    artifact = curator.save_artifact(key="validated/batch1.h5ad")
    print("Validation passed")
except ln.errors.ValidationError as e:
    print(f"Validation failed: {e}")

# Standardize cell type names using ontology
adata.obs["cell_type"] = bt.CellType.standardize(adata.obs["cell_type"])

5. Biological Ontologies (Bionty)

Access standardized biological vocabularies for annotation.

import bionty as bt

# Available ontologies
# bt.Gene (Ensembl), bt.Protein (UniProt), bt.CellType (CL),
# bt.Tissue (Uberon), bt.Disease (Mondo), bt.Pathway (GO),
# bt.CellLine (CLO), bt.Phenotype (HPO), bt.Organism (NCBItaxon)

# Import and search ontology
bt.CellType.import_source()
results = bt.CellType.search("T helper")
print(results.head())

# Get specific term
t_cell = bt.CellType.get(name="T cell")
print(f"Ontology ID: {t_cell.ontology_id}")

# Explore hierarchy
children = t_cell.children.all()
parents = t_cell.parents.all()
print(f"Children: {[c.name for c in children]}")

# Validate a list of terms
validated = bt.CellType.validate(["T cell", "B cell", "Unknown_type"])
# Returns boolean array: [True, True, False]

6. Collections and Organization

Group related artifacts for batch operations.

import lamindb as ln

# Create a collection
artifacts = ln.Artifact.filter(key__startswith="scrna/batch_").all()
collection = ln.Collection(artifacts, name="scRNA-seq batches Q1 2026").save()
print(f"Collection: {collection.name}, {collection.n_objects} artifacts")

# Query collection
for artifact in collection.artifacts.all():
    print(f"  {artifact.key}: {artifact.size} bytes")

# Organize with hierarchical keys
# Convention: project/experiment/datatype/file
# e.g., "immunology/exp42/scrna/counts.h5ad"

Key Concepts

Core Entity Model

Entity Purpose Example
Artifact Versioned data object counts.h5ad, results.parquet
Run Single code execution Notebook run, script execution
Transform Code definition (notebook, script, pipeline) analysis.ipynb
Feature Typed metadata field tissue, condition, batch
Collection Group of related artifacts "Experiment batches"
ULabel Universal label for custom categorization "high_quality", "pilot"

Data Types Supported

Format Method Use Case
DataFrame Artifact.from_df() Tabular data, metadata tables
AnnData Artifact.from_anndata() Single-cell data
MuData Artifact.from_mudata() Multi-modal data
Any file Artifact("path") Images, FASTQ, custom formats
Zarr Via zarr extra Large array data
TileDB-SOMA Via tiledbsoma extra Scalable cell-level queries

track() / finish() Pattern

Every analysis session should be wrapped:

ln.track(params={"key": "value"})   # Start: captures code, environment, user
# ... analysis ...
ln.finish()                          # End: finalizes lineage links

Common Workflows

Workflow: Multi-Experiment Data Lakehouse

import lamindb as ln
import anndata as ad

ln.track()

# Register multiple experiments
data_files = ["batch1.h5ad", "batch2.h5ad", "batch3.h5ad"]
tissues = ["PBMC", "bone_marrow", "PBMC"]
conditions = ["control", "treated", "treated"]

for i, (file, tissue, condition) in enumerate(zip(data_files, tissues, conditions)):
    adata = ad.read_h5ad(file)
    artifact = ln.Artifact.from_anndata(
        adata, key=f"scrna/batch_{i}.h5ad", description=f"scRNA-seq batch {i}"
    ).save()
    artifact.features.add_values({
        "tissue": tissue, "condition": condition, "batch": i
    })
    print(f"Registered batch {i}: {artifact.uid}")

# Query across all experiments
treated_pbmc = ln.Artifact.filter(
    key__startswith="scrna/",
    features__tissue="PBMC",
    features__condition="treated"
).all()
print(f"Found {len(treated_pbmc)} matching datasets")

# Load and concatenate
import anndata as ad
adatas = [a.load() for a in treated_pbmc]
combined = ad.concat(adatas)
print(f"Combined: {combined.shape}")

ln.finish()

Workflow: Validated Data Curation

import lamindb as ln
import bionty as bt
import anndata as ad

ln.track()

# 1. Import ontologies
bt.CellType.import_source()
bt.Gene.import_source(organism="human")

# 2. Load raw data
adata = ad.read_h5ad("raw_counts.h5ad")
print(f"Raw: {adata.shape}")

# 3. Validate and standardize cell types
validated = bt.CellType.validate(adata.obs["cell_type"].unique())
if not all(validated):
    adata.obs["cell_type"] = bt.CellType.standardize(adata.obs["cell_type"])

# 4. Validate gene names
gene_validated = bt.Gene.validate(adata.var_names)
print(f"Valid genes: {sum(gene_validated)}/{len(gene_validated)}")

# 5. Curate and save
curator = ln.curators.AnnDataCurator(adata, schema)
curator.validate()
artifact = curator.save_artifact(key="curated/validated_counts.h5ad")
print(f"Saved curated artifact: {artifact.uid}")

ln.finish()

Workflow: Nextflow Pipeline Integration

  1. In each Nextflow process, import lamindb and call ln.track()
  2. Load input artifacts with ln.Artifact.get(key=...); cache to local path
  3. Run analysis; save output as new artifact with ln.Artifact(...).save()
  4. Call ln.finish() — lineage automatically links inputs to outputs

Key Parameters

Parameter Function Default Options Effect
key Artifact() None String path Hierarchical storage key (e.g., "project/data.h5ad")
description Artifact() None String Human-readable description
revises Artifact() None Artifact Previous version to revise
params ln.track() None Dict Parameters for the current run
organism bt.Gene.import_source() None "human", "mouse" Organism for ontology
permanent .delete() False True/False Permanent vs archive deletion
__startswith .filter() String Key prefix filter
__gte, __lte .filter() Value Greater/less than or equal
__contains .filter() String Substring match

Best Practices

  1. Always wrap analysis with ln.track() / ln.finish(): This captures lineage automatically. Without it, artifacts have no provenance.

  2. Use hierarchical keys: Structure as project/experiment/datatype/file.ext (e.g., immunology/exp42/scrna/counts.h5ad). This enables prefix-based queries.

  3. Anti-pattern — duplicating data instead of versioning: Use the revises= parameter to create new versions, not new keys for the same dataset.

  4. Validate early: Run schema validation before analysis. Catching bad metadata early saves debugging time downstream.

  5. Use ontologies for standardization: Map free-text labels to ontology terms (e.g., "T helper cell" → CL:0000912). This enables cross-dataset queries.

  6. Anti-pattern — loading large files without checking size: Use .filter().df() to inspect metadata first, then .load() or .open() (backed mode) for large files.

  7. Query metadata first, load data second: Filter with .filter() to find relevant artifacts, then load only what you need.

Common Recipes

Recipe: Bulk Dataset Registration

import lamindb as ln
from pathlib import Path

ln.track()

data_dir = Path("raw_data/")
for fcs_file in data_dir.glob("*.fcs"):
    artifact = ln.Artifact(str(fcs_file), key=f"flow_cytometry/{fcs_file.name}").save()
    artifact.features.add_values({"assay": "flow_cytometry", "source": "batch_import"})
    print(f"Registered: {fcs_file.name} -> {artifact.uid}")

ln.finish()

Recipe: View and Export Lineage

import lamindb as ln

artifact = ln.Artifact.get(key="results/final_analysis.h5ad")

# View lineage graph (opens in browser or notebook)
artifact.view_lineage()

# Programmatic lineage access
run = artifact.run
print(f"Created by: {run.transform.name}")
print(f"User: {run.created_by.name}")
print(f"Date: {run.created_at}")
print(f"Input artifacts: {[a.key for a in run.input_artifacts.all()]}")

Recipe: Ontology Hierarchy Exploration

import bionty as bt

bt.CellType.import_source()
t_cell = bt.CellType.get(name="T cell")

# Explore hierarchy
print(f"Parents: {[p.name for p in t_cell.parents.all()]}")
print(f"Children: {[c.name for c in t_cell.children.all()]}")

# Find all descendants
descendants = t_cell.children.all()
for child in descendants:
    grandchildren = child.children.all()
    print(f"  {child.name}: {[gc.name for gc in grandchildren]}")

Troubleshooting

Problem Cause Solution
InstanceNotSetupError Instance not initialized Run lamin init --storage ./data --name my-project
ln.track() fails No transform context Run inside a notebook/script, not REPL; or pass transform explicitly
Artifact key conflict Key already exists (not a version) Use revises= for versioning, or choose a different key
ValidationError Data doesn't match schema Run curator.validate() to see specific failures; standardize terms
Slow queries on large instances No index on filtered field Use .df() for overview first; add database indexes for frequently filtered fields
Ontology import fails Network issue or wrong organism Check internet connection; specify organism="human" explicitly
FileNotFoundError on .cache() Cloud artifact not synced Check storage connectivity; use artifact.load() instead for in-memory access

Related Skills

  • anndata-data-structure — AnnData format used as primary data container in LaminDB for single-cell data
  • scanpy-scrna-seq — single-cell analysis pipeline; LaminDB manages data that scanpy analyzes
  • scvi-tools-single-cell — deep learning models for single-cell; integrates with LaminDB for data/model tracking

References

版本历史

  • 02745ef 当前 2026-07-19 09:26

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skills/scientific-computing/umap-learn/SKILL.md
skills/scientific-computing/uspto-database/SKILL.md
skills/scientific-computing/vaex-dataframes/SKILL.md
skills/scientific-computing/zarr-python/SKILL.md
skills/scientific-writing/biorxiv-database/SKILL.md
skills/scientific-writing/cancer-research-figure-guide/SKILL.md
skills/scientific-writing/cell-figure-guide/SKILL.md
skills/scientific-writing/citation-management/SKILL.md
skills/scientific-writing/clinical-decision-support-documents/SKILL.md
skills/scientific-writing/elife-figure-guide/SKILL.md
skills/scientific-writing/general-figure-guide/SKILL.md
skills/scientific-writing/hypothesis-generation/SKILL.md
skills/scientific-writing/lancet-figure-guide/SKILL.md
skills/scientific-writing/latex-research-posters/SKILL.md
skills/scientific-writing/literature-review/SKILL.md
skills/scientific-writing/nature-figure-guide/SKILL.md
skills/scientific-writing/nejm-figure-guide/SKILL.md
skills/scientific-writing/openalex-database/SKILL.md
skills/scientific-writing/peer-review-methodology/SKILL.md
skills/scientific-writing/pnas-figure-guide/SKILL.md
skills/scientific-writing/pubmed-database/SKILL.md
skills/scientific-writing/science-figure-guide/SKILL.md
skills/scientific-writing/scientific-brainstorming/SKILL.md
skills/scientific-writing/scientific-critical-thinking/SKILL.md
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skills/scientific-writing/scientific-manuscript-writing/SKILL.md
skills/scientific-writing/scientific-schematics/SKILL.md
skills/scientific-writing/scientific-slides/SKILL.md
skills/structural-biology-drug-discovery/alphafold-database-access/SKILL.md
skills/structural-biology-drug-discovery/autodock-vina-docking/SKILL.md
skills/structural-biology-drug-discovery/chembl-database-bioactivity/SKILL.md
skills/structural-biology-drug-discovery/clinicaltrials-database-search/SKILL.md
skills/structural-biology-drug-discovery/dailymed-database/SKILL.md
skills/structural-biology-drug-discovery/datamol-cheminformatics/SKILL.md
skills/structural-biology-drug-discovery/ddinter-database/SKILL.md
skills/structural-biology-drug-discovery/deepchem/SKILL.md
skills/structural-biology-drug-discovery/diffdock/SKILL.md
skills/structural-biology-drug-discovery/drugbank-database-access/SKILL.md
skills/structural-biology-drug-discovery/emdb-database/SKILL.md
skills/structural-biology-drug-discovery/fda-database/SKILL.md
skills/structural-biology-drug-discovery/gtopdb-database/SKILL.md
skills/structural-biology-drug-discovery/mdanalysis-trajectory/SKILL.md
skills/structural-biology-drug-discovery/medchem/SKILL.md
skills/structural-biology-drug-discovery/molfeat-molecular-featurization/SKILL.md
skills/structural-biology-drug-discovery/opentargets-database/SKILL.md
skills/structural-biology-drug-discovery/pdb-database/SKILL.md
skills/structural-biology-drug-discovery/pubchem-compound-search/SKILL.md
skills/structural-biology-drug-discovery/pytdc-therapeutics-data-commons/SKILL.md
skills/structural-biology-drug-discovery/rdkit-cheminformatics/SKILL.md
skills/structural-biology-drug-discovery/sar-analysis/SKILL.md
skills/structural-biology-drug-discovery/torchdrug/SKILL.md
skills/structural-biology-drug-discovery/unichem-database/SKILL.md
skills/structural-biology-drug-discovery/zinc-database/SKILL.md
skills/systems-biology-multiomics/brenda-database/SKILL.md
skills/systems-biology-multiomics/cellchat-cell-communication/SKILL.md
skills/systems-biology-multiomics/cobrapy-metabolic-modeling/SKILL.md
skills/systems-biology-multiomics/kegg-pathway-analysis/SKILL.md
skills/systems-biology-multiomics/libsbml-network-modeling/SKILL.md
skills/systems-biology-multiomics/mofaplus-multi-omics/SKILL.md
skills/systems-biology-multiomics/muon-multiomics-singlecell/SKILL.md
skills/systems-biology-multiomics/omics-analysis-guide/SKILL.md
skills/systems-biology-multiomics/reactome-database/SKILL.md
skills/systems-biology-multiomics/string-database-ppi/SKILL.md
.claude/skills/sciagent-skill-creator/SKILL.md
skills/genomics-bioinformatics/databases/clinpgx-database/SKILL.md
skills/genomics-bioinformatics/databases/mouse-phenome-database/SKILL.md
skills/medical-imaging/imaging-data-commons/SKILL.md
skills/proteomics-protein-engineering/pride-database/SKILL.md
skills/structural-biology-drug-discovery/mdtraj-trajectory-analysis/SKILL.md
skills/structural-biology-drug-discovery/smina-molecular-docking/SKILL.md

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