Skills

Scgpt

Embed and annotate single-cell expression data with scGPT, a foundation model for...

Install

npx skills add aipoch/open-science --skill scgpt -g -a claude-code -y
Repository
aipoch/open-science5.4k
Category
Engineering
Updated
3d ago
License
Apache-2.0
Context cost
Lightabout 1,230 tokens
Runs scripts
No, instructions only

What it does

Embed and annotate single-cell expression data with scGPT, a foundation model for single-cell biology. Use this skill when: (1) Producing cell embeddings from an AnnData for clustering/integration, (2) Zero-shot or fine-tuned cell-type annotation, (3) Gene-level representation for perturbation/GRN tasks. For probabilistic single-cell models (scVI etc.), use the scvi-tools library.

scGPT, Single-Cell Foundation Model

Prerequisites

RequirementMinimumRecommended
Python3.10+3.11
CUDA12.1+12.4+
GPU VRAM16 GB24 GB+

How to run

Loading the vocabulary and checkpoint

scGPT checkpoints are raw directories (args.json, best_model.pt, vocab.json), not Hugging Face hub repos. Point at the directory, not an HF repo id.

from scgpt.tokenizer.gene_tokenizer import GeneVocab
gv = GeneVocab.from_file("/path/to/scgpt-human/vocab.json")
print(len(gv))   # 60697 for the released human checkpoint

Embedding an AnnData

import anndata as ad
from scgpt.tasks import embed_data

adata = ad.read_h5ad("dataset.h5ad")        # var must contain a gene-name column
emb = embed_data(
    adata,
    model_dir="/path/to/scgpt-human",
    gene_col="feature_name",
    use_fast_transformer=False,             # see Gotchas
)
# emb is an AnnData with .obsm["X_scGPT"]

Output format

embed_data returns an AnnData whose .obsm["X_scGPT"] is the per-cell embedding (n_cells × emb_dim, 512 by default). Downstream: feed to scanpy.pp.neighbors / scanpy.tl.umap.

Remote compute

Needs ≥24 GB VRAM and the released human checkpoint (~200 MB: args.json, best_model.pt, vocab.json). Read compute_details({provider, mode:'read'}) for an environment with scgpt and a pre-cached checkpoint directory, then:

c = host.compute.create(provider)
job = c.submitJob(
    intent="scGPT embed 50k cells, 1×GPU, ~5 min",
    inputs=[
        {"src": "dataset.h5ad", "dstFilename": "dataset.h5ad"},
        {"src": "embed.py", "dstFilename": "embed.py"},
    ],
    command="python3 embed.py",
    environment=...,   # env name from compute_details
    outputs=["embedded.h5ad"],
    timeoutSeconds=1800,
)
print(job.job_id)   # cell ends here, kernel never blocks on compute
Read the whole SKILL.md on GitHub

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