environment-setup-guide
Guide developers through setting up development environments with proper tools, dependencies, and configurations
anndata
This skill should be used when working with annotated data matrices in Python, particularly for single-cell genomics analysis, managing experimental measurements with metadata, or handling large-scale biological datasets. Use when tasks involve AnnData objects, h5ad files, single-cell RNA-seq dat...
Full skill instructions
AnnData is a Python package for handling annotated data matrices, storing experimental measurements (X) alongside observation metadata (obs), variable metadata (var), and multi-dimensional annotations (obsm, varm, obsp, varp, uns). Originally designed for single-cell genomics through Scanpy, it now serves as a general-purpose framework for any annotated data requiring efficient storage, manipulation, and analysis.
Use this skill when:
uv pip install anndata
# With optional dependencies
uv pip install anndata[dev,test,doc]
import anndata as ad
import numpy as np
import pandas as pd
# Minimal creation
X = np.random.rand(100, 2000) # 100 cells × 2000 genes
adata = ad.AnnData(X)
# With metadata
obs = pd.DataFrame({
'cell_type': ['T cell', 'B cell'] * 50,
'sample': ['A', 'B'] * 50
}, index=[f'cell_{i}' for i in range(100)])
var = pd.DataFrame({
'gene_name': [f'Gene_{i}' for i in range(2000)]
}, index=[f'ENSG{i:05d}' for i in range(2000)])
adata = ad.AnnData(X=X, obs=obs, var=var)
# Read h5ad file
adata = ad.read_h5ad('data.h5ad')
# Read with backed mode (for large files)
adata = ad.read_h5ad('large_data.h5ad', backed='r')
# Read other formats
adata = ad.read_csv('data.csv')
adata = ad.read_loom('data.loom')
adata = ad.read_10x_h5('filtered_feature_bc_matrix.h5')
# Write h5ad file
adata.write_h5ad('output.h5ad')
# Write with compression
adata.write_h5ad('output.h5ad', compression='gzip')
# Write other formats
adata.write_zarr('output.zarr')
adata.write_csvs('output_dir/')
# Subset by conditions
t_cells = adata[adata.obs['cell_type'] == 'T cell']
# Subset by indices
subset = adata[0:50, 0:100]
# Add metadata
adata.obs['quality_score'] = np.random.rand(adata.n_obs)
adata.var['highly_variable'] = np.random.rand(adata.n_vars) > 0.8
# Access dimensions
print(f"{adata.n_obs} observations × {adata.n_vars} variables")
Understand the AnnData object structure including X, obs, var, layers, obsm, varm, obsp, varp, uns, and raw components.
See: references/data_structure.md for comprehensive information on:
Read and write data in various formats with support for compression, backed mode, and cloud storage.
See: references/io_operations.md for details on:
Common commands:
# Read/write h5ad
adata = ad.read_h5ad('data.h5ad', backed='r')
adata.write_h5ad('output.h5ad', compression='gzip')
# Read 10X data
adata = ad.read_10x_h5('filtered_feature_bc_matrix.h5')
# Read MTX format
adata = ad.read_mtx('matrix.mtx').T
Combine multiple AnnData objects along observations or variables with flexible join strategies.
See: references/concatenation.md for comprehensive coverage of:
Common commands:
# Concatenate observations (combine samples)
adata = ad.concat(
[adata1, adata2, adata3],
axis=0,
join='inner',
label='batch',
keys=['batch1', 'batch2', 'batch3']
)
# Concatenate variables (combine modalities)
adata = ad.concat([adata_rna, adata_protein], axis=1)
# Lazy concatenation
from anndata.experimental import AnnCollection
collection = AnnCollection(
['data1.h5ad', 'data2.h5ad'],
join_obs='outer',
label='dataset'
)
Transform, subset, filter, and reorganize data efficiently.
See: references/manipulation.md for detailed guidance on:
Common commands:
# Subset by metadata
filtered = adata[adata.obs['quality_score'] > 0.8]
hv_genes = adata[:, adata.var['highly_variable']]
# Transpose
adata_T = adata.T
# Copy vs view
view = adata[0:100, :] # View (lightweight reference)
copy = adata[0:100, :].copy() # Independent copy
# Convert strings to categoricals
adata.strings_to_categoricals()
Follow recommended patterns for memory efficiency, performance, and reproducibility.
See: references/best_practices.md for guidelines on:
Key recommendations:
# Use sparse matrices for sparse data
from scipy.sparse import csr_matrix
adata.X = csr_matrix(adata.X)
# Convert strings to categoricals
adata.strings_to_categoricals()
# Use backed mode for large files
adata = ad.read_h5ad('large.h5ad', backed='r')
# Store raw before filtering
adata.raw = adata.copy()
adata = adata[:, adata.var['highly_variable']]
AnnData serves as the foundational data structure for the scverse ecosystem:
import scanpy as sc
# Preprocessing
sc.pp.filter_cells(adata, min_genes=200)
sc.pp.normalize_total(adata, target_sum=1e4)
sc.pp.log1p(adata)
sc.pp.highly_variable_genes(adata, n_top_genes=2000)
# Dimensionality reduction
sc.pp.pca(adata, n_comps=50)
sc.pp.neighbors(adata, n_neighbors=15)
sc.tl.umap(adata)
sc.tl.leiden(adata)
# Visualization
sc.pl.umap(adata, color=['cell_type', 'leiden'])
import muon as mu
# Combine RNA and protein data
mdata = mu.MuData({'rna': adata_rna, 'protein': adata_protein})
from anndata.experimental import AnnLoader
# Create DataLoader for deep learning
dataloader = AnnLoader(adata, batch_size=128, shuffle=True)
for batch in dataloader:
X = batch.X
# Train model
import anndata as ad
import scanpy as sc
# 1. Load data
adata = ad.read_10x_h5('filtered_feature_bc_matrix.h5')
# 2. Quality control
adata.obs['n_genes'] = (adata.X > 0).sum(axis=1)
adata.obs['n_counts'] = adata.X.sum(axis=1)
adata = adata[adata.obs['n_genes'] > 200]
adata = adata[adata.obs['n_counts'] < 50000]
# 3. Store raw
adata.raw = adata.copy()
# 4. Normalize and filter
sc.pp.normalize_total(adata, target_sum=1e4)
sc.pp.log1p(adata)
sc.pp.highly_variable_genes(adata, n_top_genes=2000)
adata = adata[:, adata.var['highly_variable']]
# 5. Save processed data
adata.write_h5ad('processed.h5ad')
# Load multiple batches
adata1 = ad.read_h5ad('batch1.h5ad')
adata2 = ad.read_h5ad('batch2.h5ad')
adata3 = ad.read_h5ad('batch3.h5ad')
# Concatenate with batch labels
adata = ad.concat(
[adata1, adata2, adata3],
label='batch',
keys=['batch1', 'batch2', 'batch3'],
join='inner'
)
# Apply batch correction
import scanpy as sc
sc.pp.combat(adata, key='batch')
# Continue analysis
sc.pp.pca(adata)
sc.pp.neighbors(adata)
sc.tl.umap(adata)
# Open in backed mode
adata = ad.read_h5ad('100GB_dataset.h5ad', backed='r')
# Filter based on metadata (no data loading)
high_quality = adata[adata.obs['quality_score'] > 0.8]
# Load filtered subset
adata_subset = high_quality.to_memory()
# Process subset
process(adata_subset)
# Or process in chunks
chunk_size = 1000
for i in range(0, adata.n_obs, chunk_size):
chunk = adata[i:i+chunk_size, :].to_memory()
process(chunk)
Use backed mode or convert to sparse matrices:
# Backed mode
adata = ad.read_h5ad('file.h5ad', backed='r')
# Sparse matrices
from scipy.sparse import csr_matrix
adata.X = csr_matrix(adata.X)
Use compression and appropriate formats:
# Optimize for storage
adata.strings_to_categoricals()
adata.write_h5ad('file.h5ad', compression='gzip')
# Use Zarr for cloud storage
adata.write_zarr('file.zarr', chunks=(1000, 1000))
Always align external data on index:
# Wrong
adata.obs['new_col'] = external_data['values']
# Correct
adata.obs['new_col'] = external_data.set_index('cell_id').loc[adata.obs_names, 'values']
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