alterlab-scgpt

$npx mdskill add AlterLab-IEU/AlterLab-Academic-Skills/alterlab-scgpt

Annotate and embed single cells using the scGPT foundation model.

  • Annotates cell types zero-shot or with fine-tuning from AnnData.
  • Depends on the scGPT model, PyTorch, and a CUDA GPU.
  • Selects scGPT for transformer-based inference over probabilistic models like scVI.
  • Returns annotated AnnData with cell-type labels and embeddings.

SKILL.md

.github/skills/alterlab-scgptView on GitHub ↗
---
name: alterlab-scgpt
description: Apply the scGPT single-cell foundation model (Cui 2024) to annotate and embed cells — zero-shot and fine-tuned cell-type annotation, gene/cell embeddings, batch integration, and gene-regulatory / perturbation inference from AnnData. Use when annotating cell types with a pretrained foundation model, generating scGPT embeddings, integrating batches with a transformer, or running zero-shot single-cell inference on an h5ad. For probabilistic latent models (scVI/scANVI) prefer alterlab-scvi-tools; for the standard QC→cluster→UMAP→DE pipeline prefer alterlab-scanpy; for the AnnData data structure itself prefer alterlab-anndata; for protein language models prefer alterlab-esm. Part of the AlterLab Academic Skills suite.
license: MIT
allowed-tools: Read Write Edit Bash(python:*) Bash(uv:*)
compatibility: "Runs the scGPT model (`bowang-lab/scGPT`; install `scgpt` — TODO(verify) exact pin) under `uv run python`. Pretrained checkpoints download once and cache (GB-scale); a CUDA GPU is strongly recommended (CPU is impractical for large datasets). Input/output is AnnData (`.h5ad`) in the scverse ecosystem. Dispatch heavy fine-tuning via alterlab-remote-compute."
metadata:
    skill-author: AlterLab
    version: "1.0.0"
---

# scGPT (single-cell foundation model)

## Overview

**scGPT** (Cui et al., *Nature Methods* 2024; `bowang-lab/scGPT`) is a transformer **foundation
model** pretrained on tens of millions of cells. It provides **zero-shot** and fine-tuned
**cell-type annotation**, **gene and cell embeddings**, **batch integration**, and
gene-regulatory / perturbation inference — all operating on **AnnData** (`.h5ad`) objects.

Its niche vs. the existing single-cell skills: scGPT is the *pretrained-transformer* route.
For probabilistic latent-variable models use `alterlab-scvi-tools`; for the conventional
Scanpy analysis pipeline use `alterlab-scanpy`; scGPT complements both.

## When to Use This Skill

Use this skill when the user wants to:
- **Annotate cell types** with a pretrained foundation model (zero-shot or fine-tuned).
- Generate **scGPT embeddings** for cells or genes.
- **Integrate batches** using the transformer's representation.
- Run **zero-shot** inference / transfer to a new dataset without training from scratch.

### Does NOT Trigger

| Scenario | Use instead |
|----------|-------------|
| Probabilistic integration / latent model (scVI, scANVI) | `alterlab-scvi-tools` |
| Standard QC → cluster → UMAP → differential expression | `alterlab-scanpy` |
| Read/write/wrangle the `.h5ad` data structure itself | `alterlab-anndata` |
| RNA velocity | `alterlab-scvelo` |
| Protein (not single-cell) language models | `alterlab-esm` |

## Core Capabilities

### 1. Zero-shot cell embedding & annotation

```python
# bowang-lab/scGPT — API sketch; TODO(verify) against installed scgpt
import scanpy as sc
adata = sc.read_h5ad("cells.h5ad")
# Load a pretrained scGPT checkpoint, embed cells, map to reference cell types.
# (see references/scgpt_usage.md for the exact embed/annotate calls)
```

Zero-shot mode maps a new dataset onto scGPT's learned space without training — fast triage
of cell identities. Fine-tuning on labeled reference data improves accuracy on a specific
tissue.

### 2. Embeddings for downstream analysis

Produce cell embeddings (for clustering/visualization) or gene embeddings (for
gene-network/similarity analysis). Feed embeddings back into a Scanpy neighbors/UMAP workflow.

### 3. Batch integration

Use the model representation to integrate across batches/donors, comparable in role to
scVI-based integration but from the pretrained-transformer paradigm.

### 4. GPU and dispatch

scGPT needs a GPU for realistic dataset sizes; fine-tuning is heavy. Dispatch fine-tuning /
large inference via `alterlab-remote-compute` (submit → poll → harvest). Keep the AnnData I/O
consistent with `alterlab-anndata`.

## Resources

- `references/scgpt_usage.md` — install/pinning, checkpoints, embed/annotate/fine-tune calls,
  scverse integration, and paradigm comparison. Loaded on demand.

Part of the AlterLab Academic Skills suite.

More from AlterLab-IEU/AlterLab-Academic-Skills

SkillDescription
alterlab-abm-mesaBuilds agent-based models of social systems with Mesa 3 — the current AgentSet API (model.agents.shuffle_do('step'), auto-assigned unique_id, mandatory super().__init__(seed=...)), cell spaces (mesa.discrete_space OrthogonalMooreGrid / classic mesa.space grids), the DataCollector, batch_run parameter sweeps, and SolaraViz — for emergence, segregation, diffusion, opinion dynamics, and cooperation models. It uses the Mesa 3.x API (the old mesa.time schedulers like RandomActivation are removed) and treats the model as a generative theory to be validated, not just run. Use when the request mentions an agent-based model, Mesa, simulating interacting agents, or emergent macro behavior from micro rules. For discrete-event (queueing/process) simulation prefer alterlab-simpy; for reinforcement learning prefer alterlab-stable-baselines3. Part of the AlterLab Academic Skills suite.
alterlab-academic-careerPrepares academic career documents and professional-development materials for faculty and researchers. Use when drafting academic CVs, research statements, teaching philosophies, diversity statements, faculty-position cover letters, tenure dossiers, promotion narratives, academic portfolios, or mentorship statements, and when planning conference-networking strategy, building academic web presence, setting up ORCID profiles, or understanding impact metrics. Part of the AlterLab Academic Skills suite.
alterlab-accreditation-aolScaffolds program-level Assurance-of-Learning (AoL) documentation for AACSB (2020 Standard 5) and ABET (Criterion 3 Student Outcomes, Criterion 4 Continuous Improvement) accreditation — program learning outcomes / competency goals, curriculum-to-outcome mapping matrices, direct- and indirect-assessment plans, rubric design, and closing-the-loop continuous-improvement narratives — and validates the structure of an outcome-mapping matrix with scripts/aol_matrix.py. Use when the user needs AACSB or ABET assurance-of-learning material, a program-learning-outcomes set, a curriculum/outcome map or coverage matrix, a direct/indirect assessment plan, a closing-the-loop report, or accreditation self-study text. For single-course design or course rubrics prefer alterlab-teaching-design; for post-award grant reports prefer alterlab-grant-reporting. Part of the AlterLab Academic Skills suite.
alterlab-adaptyvSubmits and tracks protein-testing experiments on the Adaptyv Bio Foundry cloud lab (wet-lab validation), and optimizes protein sequences before submission with computational tools (NetSolP, SoluProt, SolubleMPNN, ESM). Use when designing proteins that need wet-lab validation - binding/affinity screening, expression testing, thermostability, or fluorescence assays - or when submitting experiments to the Foundry API, browsing the target catalog, tracking experiment status, retrieving results, or pre-screening sequences for solubility/expression. Triggers on "Adaptyv", "Foundry API", "cloud lab", "biolayer interferometry / BLI", "wet-lab validation". Part of the AlterLab Academic Skills suite.
alterlab-aeonRuns time series machine learning with the aeon library — classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search via scikit-learn compatible APIs. Use when working with temporal data, sequential patterns, or time-indexed observations (univariate or multivariate) that need specialized algorithms beyond standard ML approaches. Part of the AlterLab Academic Skills suite.
alterlab-akademik-tesvikComputes the annual Turkish academic-incentive (akademik teşvik) score for Devlet (state) university öğretim elemanı (academic staff) from a classified activity list, applying the verified Akademik Teşvik Ödeneği Yönetmeliği (2018/11834) Faaliyet Hesaplama Tablosu headline puanları (Proje 20, Araştırma 15, Yayın 30, Patent 30, Atıf 30, Tebliğ 20, Ödül 20) with the k (author-count), p (Q1 1/Q2 0.8/Q3 0.5/Q4 0.25), and r (project-role) coefficients via türü puanı = Σ(faaliyet oranları) × headline (MADDE 8/2), then enforcing the per-type headline ceilings, the 100 cap (MADDE 8/3), and the net-30 payment gate (MADDE 10/3) in a deterministic scripts/tesvik_score.py. Use when the user wants to calculate akademik teşvik puanı, check the en az 30 (net-30) threshold, apply TABLO 4 ceilings, or estimate teşvik eligibility; keeps its coefficients separate from doçentlik scoring. For doçentlik point eligibility prefer alterlab-docentlik-eligibility. Part of the AlterLab Academic Skills suite.
alterlab-alpha-vantageAccesses real-time and historical stock market data, forex rates, cryptocurrency prices, commodities, economic indicators, and 50+ technical indicators via the Alpha Vantage API (requires a free API key from alphavantage.co). Use when fetching stock prices (OHLCV), company fundamentals (income statement, balance sheet, cash flow), earnings, options data, market news/sentiment, insider transactions, GDP, CPI, treasury yields, gold/silver/oil prices, Bitcoin/crypto prices, forex exchange rates, or calculating technical indicators (SMA, EMA, MACD, RSI, Bollinger Bands). Part of the AlterLab Academic Skills suite.
alterlab-alphafoldPredict protein 3D structures with AlphaFold2 via ColabFold — MMseqs2-accelerated MSAs, monomer and AlphaFold2-Multimer complex folding, and confidence-based validation (pLDDT, pTM/ipTM, PAE). Use when folding a protein sequence or complex from FASTA, generating a predicted structure with confidence metrics, ranking models, or checking self-consistency of a design. For co-folding a protein WITH a small-molecule ligand or predicting binding affinity prefer alterlab-boltz; for antibody–antigen or one-FASTA multi-entity complexes prefer alterlab-chai; to LOOK UP an already-computed structure prefer alterlab-alphafold-db; for ESM embeddings or inverse folding prefer alterlab-esm. Part of the AlterLab Academic Skills suite.
alterlab-alphafold-dbAccess the AlphaFold DB of 200M+ AI-PREDICTED protein structures — retrieve models by UniProt accession, download PDB/mmCIF files, and analyze prediction confidence metrics (pLDDT, PAE). Use when a UniProt ID needs a computationally predicted 3D structure or when no experimental structure exists, for homology modeling, protein engineering, or structure-based drug discovery; for EXPERIMENTALLY determined structures (X-ray, cryo-EM, NMR) prefer alterlab-pdb, and for protein sequences, annotations, or accession ID mapping prefer alterlab-uniprot instead. Part of the AlterLab Academic Skills suite.
alterlab-anndataBuild, slice, concatenate, read, and write AnnData annotated data matrices (obs, var, X, layers, obsm, uns) — the scverse data STRUCTURE, not an analysis pipeline. Use when creating or wrangling .h5ad/zarr files, managing cell and gene annotations, concatenating batches, or handling layers/obsm/backed-mode; for the QC, normalization, clustering, UMAP, and differential-expression analysis pipeline prefer alterlab-scanpy instead, and for RNA velocity from spliced/unspliced layers prefer alterlab-scvelo instead. Part of the AlterLab Academic Skills suite.