AlterLab-Academic-Skills

The AlterLab front door and multi-agent launcher — routes a task to the right AlterLab skill(s) when the user invokes the suite without naming one, and for a multi-stage goal (or on the keyword 'alterflow', aliases 'alterresearch' / 'ultralab') it CLARIFIES the goal with a few questions, SELECTS the skills the task needs, and runs a dynamic multi-agent workflow composing them (via alterlab-workflow-orchestration, alterlab-research-pipeline, or alterlab-ssci-orchestrator). Triggers on 'use AlterLab skills', 'which AlterLab skill for X', 'is there an AlterLab skill for…', a multi-stage research goal, 'alterflow …', or any generic AlterLab request where the user does not know skill names. It always asks clarifying questions before executing a multi-step run. Use when someone references AlterLab generically, describes a multi-stage goal, or fires the alterflow keyword; when the user already names a specific skill, defer to that skill directly. Part of the AlterLab Academic Skills suite.

Runs quantitative meta-analysis — computes effect sizes (Hedges' g / standardized mean difference, log odds/risk ratios) with their variances, pools them under fixed-effect and random-effects models, quantifies heterogeneity (I-squared, tau-squared, Cochran's Q), draws forest and funnel plots, and tests publication bias (Egger's regression, trim-and-fill) — using statsmodels.stats.meta_analysis in Python or the field-standard R metafor via Rscript. It enforces PRISMA reporting and the random- vs fixed-effect decision. Use when pooling effect sizes across studies, running a systematic review's quantitative synthesis, or assessing heterogeneity and publication bias. For finding and screening the literature prefer alterlab-deep-research; for a single study's statistics prefer alterlab-statistical-analysis. Part of the AlterLab Academic Skills suite.

Handles missing data with principled methods — forces an explicit MCAR / MAR / MNAR mechanism statement, then applies multiple imputation by chained equations (MICE) with Rubin's-rules pooling of estimates and standard errors, or full-information maximum likelihood (FIML) where a likelihood/SEM model applies. Uses statsmodels MICE / MICEData in Python or the field-standard R mice via Rscript, and warns that single (mean/regression) imputation and scikit-learn's IterativeImputer return one completed dataset without Rubin's-rules pooling, so they understate standard errors if used as multiple imputation. Use when a dataset has missing values, when choosing an imputation strategy, or when reporting how missingness was handled. For general modeling on complete data prefer alterlab-statistical-analysis; for latent-variable models with FIML prefer alterlab-sem-psychometrics. Part of the AlterLab Academic Skills suite.

Fits and reports mixed-effects / multilevel / hierarchical models for clustered, nested, longitudinal, and repeated-measures data — random intercepts and slopes, variance components and the ICC, cross-level interactions, and GLMMs (logistic/Poisson) — using statsmodels MixedLM and bambi (Bayesian on PyMC) in Python, or the field-standard R lme4 / glmmTMB / brms via Rscript. It enforces the reporting items reviews find under-reported: full fixed + random specification, centering, variance components + ICC, estimation method, assumption checks, model comparisons, and effect sizes. Use when data are grouped/nested (students in schools, repeated measures, panel/longitudinal) and the question concerns within- vs between-cluster variation. For general single-level regression prefer alterlab-statsmodels; for panel fixed effects used for causal identification prefer alterlab-causal-inference. Part of the AlterLab Academic Skills suite.

Analyzes qualitative data as a dispatched pipeline module — codebook development, thematic / framework / content analysis, and inter-coder reliability computed correctly (Krippendorff's alpha as primary via the krippendorff package or a bundled stdlib nominal calculator with bootstrap CIs; Cohen's / Fleiss' kappa via statsmodels) with 95% CIs and thresholds (alpha >= .80 reliable, .667-.80 tentative). It BRANCHES by design: coefficient-based ICR for codebook / content-analytic coding, versus consensus-and-reflexivity for reflexive thematic analysis where a statistic is not the right criterion. Supports human-vs-LLM double-coding with an alpha check against a human gold standard. Use when coding interviews or open-ended text, building a codebook, or reporting intercoder reliability. For topic modeling / embeddings / supervised text classification prefer alterlab-text-as-data; for the reflexivity gate prefer alterlab-ssci-reflexivity-gate. Part of the AlterLab Academic Skills suite.

Coordinates a social-science study through the stage-gated methods pipeline — question then design-gate then measurement-gate then sampling-gate then the right analysis module then inference-gate then reporting — holding a single YAML Design Passport that each gate reads and appends, and enforcing gate order with PASS / WARN / BLOCK semantics (design-gate and inference-gate are fail-closed). It is thin: it routes and holds the artifact, it does not run analysis itself. Use when a researcher describes a whole social-science study end to end, asks to run the methods pipeline or a full methodology review, or wants the design-to-inference workflow coordinated rather than a single step. For a single stage trigger that gate directly (alterlab-ssci-design-gate, -measurement-gate, -sampling-gate, -inference-gate); for multi-agent execution mechanics see alterlab-workflow-orchestration. Part of the AlterLab Academic Skills suite.

Gates trustworthiness before qualitative or interpretivist claims are written — the qualitative analog of the measurement gate. Checks that researcher positionality and role are stated, that the four Lincoln & Guba trustworthiness criteria are addressed (credibility via triangulation / member-checking / prolonged engagement, transferability via thick description, dependability via an audit trail, confirmability via reflexive bracketing), and that reflexivity is evidenced rather than asserted. Fail-closed: interpretivist generalizing or causal language is refused without the corresponding warrant. Use when a study is qualitative / ethnographic / interpretivist, when reviewing trustworthiness or reflexivity, or before writing up thematic or grounded-theory findings. For quantitative measurement validity prefer alterlab-ssci-measurement-gate; for running the coding prefer alterlab-qualitative-analysis; for the final claim audit prefer alterlab-ssci-inference-gate. Part of the AlterLab Academic Skills suite.

Analyzes complex-sample survey data with design-based inference — declares a survey design (weights, strata, PSUs/clusters, FPC) before estimating means, totals, proportions, ratios, and quantiles, computes design-adjusted standard errors via Taylor linearization or replicate weights (BRR, Jackknife, Bootstrap), calibrates with post-stratification / raking / GREG, and fits design-adjusted GLMs (linear, logistic, Poisson). Uses samplics (stable Python), the emerging svy successor, or the field-standard R survey + srvyr via Rscript. Use when analyzing GSS/ANES/ESS/DHS/Eurobarometer or any weighted/stratified/clustered survey, when a dataset ships survey weights, or when someone quotes unweighted percentages from a complex survey. For questionnaire and sampling-plan DESIGN prefer alterlab-survey-design; for the sampling-adequacy gate prefer alterlab-ssci-sampling-gate; for causal identification prefer alterlab-causal-inference. Part of the AlterLab Academic Skills suite.

Develops, tests, and deploys clinical machine learning models with the PyHealth healthcare AI toolkit. Use when working with electronic health records (EHR), clinical prediction tasks (mortality, readmission, drug recommendation), medical coding systems (ICD, NDC, ATC), physiological signals (EEG, ECG), healthcare datasets (MIMIC-III/IV, eICU, OMOP), or implementing deep learning models for healthcare (RETAIN, SafeDrug, Transformer, GNN). Part of the AlterLab Academic Skills suite.

Query and download public cancer imaging data from the NCI Imaging Data Commons (IDC) using the idc-index Python package, filtering by metadata, visualizing in-browser, and checking licenses, with no authentication required. Use when obtaining large-scale radiology (CT, MR, PET) or digital pathology DICOM datasets for AI/ML training or cancer imaging research. Part of the AlterLab Academic Skills suite.

Search scientific papers and retrieve structured experimental data extracted from full-text studies via the BGPT MCP server, returning 25+ fields per paper (methods, results, sample sizes, quality scores, conclusions). Use when running a literature review or evidence synthesis, or when needing experimental details (sample sizes, effect sizes, methods, quality scores) that abstracts alone do not provide. Part of the AlterLab Academic Skills suite.

Builds 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.

Estimates causal effects from observational and quasi-experimental data — difference-in-differences, instrumental variables, regression discontinuity, panel fixed effects, propensity-score / doubly-robust methods, and heterogeneous treatment effects (CATE) — using the verified Python stack: statsmodels and linearmodels (PanelOLS, IV2SLS), pyfixest (feols, event studies, Sun-Abraham, did2s), DoWhy (identify -> estimate -> refute), EconML (LinearDML, CausalForestDML, DRLearner), and rdrobust for RD. It names the identifying assumption before estimating and runs a refutation/robustness check after. Use when the request mentions difference-in-differences, instrumental variables, regression discontinuity, fixed effects / panel causal estimation, propensity scores, or treatment-effect estimation from non-randomized data. For choosing the design first prefer alterlab-ssci-design-gate; for plain regression or descriptive stats prefer alterlab-statistical-analysis. Part of the AlterLab Academic Skills suite.

Runs Qualitative Comparative Analysis — crisp-set (csQCA), multi-value (mvQCA), and fuzzy-set (fsQCA) — for small-to-medium-N configurational research: calibrating raw data into set membership, building and refining a truth table, and Boolean minimization into conservative / parsimonious / intermediate solutions with consistency and coverage. Because there is no maintained Python QCA library, it shells out to R's QCA package (calibrate, truthTable, minimize) via Rscript and documents that dependency honestly rather than faking a Python API. Use when the request mentions QCA, fsQCA, csQCA, configurational or set-theoretic analysis, necessary/sufficient conditions, truth tables, or calibration of conditions. For net-effect estimation of a single treatment prefer alterlab-causal-inference; for interpretive analysis prefer alterlab-qualitative-methods. Part of the AlterLab Academic Skills suite.

Fits and evaluates measurement models — confirmatory factor analysis, full structural equation models, exploratory factor analysis, item response theory, and multi-group measurement invariance — using the verified Python stack: semopy (model syntax =~ / ~ / ~~, Model.fit, inspect(std_est=True), calc_stats for CFI/TLI/RMSEA), factor_analyzer (EFA, KMO, Bartlett, ConfirmatoryFactorAnalyzer), and pingouin/girth, computing McDonald's omega from standardized loadings and judging fit against Hu & Bentler cutoffs. Use when the request mentions confirmatory factor analysis, structural equation modeling, a latent variable or construct model, factor loadings, IRT, or measurement invariance across groups. For deciding whether a scale is trustworthy at all prefer alterlab-ssci-measurement-gate; for plain regression prefer alterlab-statistical-analysis. Part of the AlterLab Academic Skills suite.

Applies social-network-analysis method discipline to relational data — degree/betweenness/closeness/eigenvector centrality and PageRank, community detection (Louvain and greedy-modularity native in networkx, Leiden via igraph), and inferential network models (ERGM) — choosing the measure that matches the substantive question and the right dependence assumptions, then routing computation to the existing networkx (and igraph/R) tooling. Use when the request mentions social network analysis, centrality, key players/brokerage, community or cluster detection in a network, ERGM, or modeling ties between nodes. For general graph algorithms and plotting prefer alterlab-networkx; for graph neural networks prefer alterlab-torch-geometric. Part of the AlterLab Academic Skills suite.

Routes a social-science study to its research design — true experiment, quasi-experiment (difference-in-differences, instrumental variables, regression discontinuity, interrupted time series, fixed effects), observational/correlational, qualitative, or mixed — by walking the random-selection and random-assignment decisions, then PINS the identifying assumption the causal claim will rest on (parallel trends, exclusion restriction, continuity at the cutoff, selection-on-observables, or qualitative saturation logic) before any analysis begins. Use when choosing a study design, asking what design to use, framing a causal question from observational data, or deciding experiment vs quasi-experiment vs observational. For executing the analysis prefer alterlab-statistical-analysis; for qualitative design depth prefer alterlab-qualitative-methods; for choosing the statistical test downstream prefer alterlab-test-selection-guard. Part of the AlterLab Academic Skills suite.

Audits final inferential claims against the design, sample, and uncertainty before they are written or published — refuses causal language unless the design's identifying assumption is defended (else downgrades to associational), corrects p-value and confidence-interval misreadings (a p-value is not the probability the null is true, non-significance is not proof of no effect, a 95% CI is not a 95% probability the parameter is inside it), demands effect sizes with intervals rather than significance stars, flags uncorrected multiple comparisons and optional stopping / HARKing, and scopes generalization to the sampling frame. Use when writing or checking a results or discussion section, interpreting a p-value or confidence interval, or deciding whether a finding supports a causal or population claim. For choosing the statistical test prefer alterlab-test-selection-guard; to execute the analysis prefer alterlab-statistical-analysis. Part of the AlterLab Academic Skills suite.

Gates measurement quality before a scale or instrument is trusted — checks that each construct is defined and operationalized, that reliability is evidenced with McDonald omega (not Cronbach alpha alone, which assumes tau-equivalence and is only a lower bound), that reliability is not confused with validity (content, criterion, convergent/discriminant construct validity), and that measurement invariance is tested before comparing groups. Use when asking whether a scale or survey instrument is valid, reporting a Cronbach alpha, building or adopting a multi-item measure, or comparing a latent construct across groups. For designing the questionnaire items prefer alterlab-survey-design; for running the confirmatory factor analysis prefer alterlab-sem-psychometrics; to execute basic statistics prefer alterlab-statistical-analysis. Part of the AlterLab Academic Skills suite.

Gates who is sampled, how, and how many before data collection — checks that the sampling FRAME matches the target population (coverage error), that the METHOD is named (probability vs non-probability: simple random, stratified, cluster, systematic, quota, convenience, snowball), that sample SIZE follows the inference paradigm (an a-priori power analysis for hypothesis tests, a precision/margin-of-error target for estimation, or saturation/information power for qualitative studies — never a rule of thumb or collect-until-significant), and that the generalization claim matches the sample (statistical generalization only from probability samples). Use when asking how many participants are needed, planning recruitment, running or checking a power analysis, or judging whether a sample supports a population claim. For questionnaire items prefer alterlab-survey-design; for choosing the statistical test prefer alterlab-test-selection-guard. Part of the AlterLab Academic Skills suite.

Analyzes text as social-science data — topic modeling (BERTopic with embeddings + class-based TF-IDF, LDA/NMF via scikit-learn or gensim), document embeddings (sentence-transformers), dictionary/lexicon methods, and supervised text classification — choosing the method that matches the inferential goal (discovery vs measurement vs prediction) and validating topic reliability rather than trusting one stochastic run. It uses the verified stack (BERTopic, scikit-learn, gensim CoherenceModel, spaCy, sentence-transformers) with pinned patterns. Use when the request mentions topic modeling, text as data, computational text analysis, document embeddings, dictionary/sentiment lexicons, or classifying a corpus. For training or fine-tuning transformer models prefer alterlab-transformers; for humanities close-reading corpora prefer alterlab-digital-humanities. Part of the AlterLab Academic Skills suite.

Predict genome-wide functional genomics tracks from DNA sequence with Borzoi (Linder 2025) — a sequence-to-function model outputting RNA-seq, CAGE, ATAC, and ChIP coverage across long context, used to score non-coding and regulatory variant effects. Use when predicting functional tracks from a DNA sequence, scoring a non-coding/regulatory variant's effect on expression or chromatin, or doing in-silico mutagenesis of a locus. To LOOK UP a variant's population frequency prefer alterlab-gnomad; for its clinical significance prefer alterlab-clinvar; for protein-structure effects prefer alterlab-alphafold; for single-cell foundation models prefer alterlab-scgpt. Part of the AlterLab Academic Skills suite.

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.

Explore a single PDF in depth — parse it once, then answer questions across its sections, figures, tables, and appendices — comparing methods across sections, extracting every instance of a pattern within the document, and reading values off its charts and tables. Use when interrogating one paper or report end-to-end, pulling every occurrence of something inside a document, or reading data from a figure/table in a PDF, serving the literature-review and paper-review pipeline. To build a comparison table across MANY papers prefer alterlab-pdf-extract; to simply convert a PDF to Markdown prefer alterlab-markitdown; for reference/citation management prefer alterlab-pyzotero. Part of the AlterLab Academic Skills suite.

Verify publication figures with a render-then-check QA pass — data-fidelity against every underlying row, axis/label floor-and-ceiling legibility, bounding-box collision detection for overlapping text/markers, and 300-dpi print-readiness. Use when proofing or auditing a finished figure for correctness and print quality, catching mislabeled or overlapping elements, or confirming a plot faithfully represents its data before submission. For CREATING the plot prefer alterlab-matplotlib (or alterlab-seaborn / alterlab-plotly); for multi-panel publication layout prefer alterlab-scientific-viz; for schematic diagrams prefer alterlab-scientific-schematics. Part of the AlterLab Academic Skills suite.

Design protein sequences around bound ligands, metals, and nucleic acids with LigandMPNN (Dauparas 2023) — inverse folding that conditions on non-protein context, so binding-pocket and metal-site residues are chosen to fit the actual ligand. Use when designing a small-molecule or metal binding pocket, redesigning residues that contact a ligand/ion/nucleic acid, or doing enzyme active-site design where the substrate matters. For backbone sequence design with NO ligand/metal context prefer alterlab-proteinmpnn; to GENERATE a backbone or scaffold a functional site prefer alterlab-rfdiffusion; to validate a design by refolding prefer alterlab-alphafold; to co-fold or dock the ligand prefer alterlab-boltz or alterlab-diffdock. Part of the AlterLab Academic Skills suite.

Design protein sequences for a fixed backbone with ProteinMPNN (Dauparas 2022) — message-passing inverse folding that outputs sequences predicted to fold to a given structure, with fixed positions, tied/symmetric chains, amino-acid bias, and a soluble-model variant. Use when inverse-folding a backbone PDB into sequences, redesigning selected positions, imposing symmetry across chains, or generating the sequence step of a design→fold→score loop. For pocket/interface design WITH a bound ligand, metal, or nucleic acid prefer alterlab-ligandmpnn; to GENERATE a new backbone prefer alterlab-rfdiffusion; to refold and validate a design prefer alterlab-alphafold; for generative multimodal design prefer alterlab-esm. Part of the AlterLab Academic Skills suite.

Generate de-novo protein backbones with RFdiffusion (Watson 2023) — a diffusion model for unconditional monomer generation, motif scaffolding, binder design against a target, and symmetric oligomers. Use when generating a new protein backbone from scratch, scaffolding a functional motif into a fold, designing a binder backbone to a target surface, or building symmetric assemblies; RFdiffusion produces the STRUCTURE, then alterlab-proteinmpnn designs its sequence and alterlab-alphafold validates it. For sequence design of an existing backbone prefer alterlab-proteinmpnn (or alterlab-ligandmpnn with a ligand); to fold a known sequence prefer alterlab-alphafold; for generative multimodal design prefer alterlab-esm. Part of the AlterLab Academic Skills suite.

Predict 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.

Co-fold biomolecular complexes with Boltz-2, an open AlphaFold3-style model — predict protein + ligand (SMILES/CCD), protein + nucleic-acid, and multi-chain structures in one pass, with binding-affinity prediction. Use when folding a protein together with a small-molecule ligand, predicting a holo (ligand-bound) complex or its binding affinity, or co-folding protein–DNA/RNA assemblies. For protein-only or protein–protein folding without ligands prefer alterlab-alphafold; for antibody–antigen complexes prefer alterlab-chai; to dock a ligand into a FIXED receptor structure prefer alterlab-diffdock; to look up an existing structure prefer alterlab-pdb. Part of the AlterLab Academic Skills suite.

Predict biomolecular complexes with Chai-1, an open AlphaFold3-style model that folds multi-entity assemblies (proteins, ligands, nucleic acids) from a single typed FASTA — strong on antibody–antigen and protein–ligand complexes, with optional MSA and restraint inputs. Use when predicting an antibody–antigen complex, folding a mixed protein/ligand/nucleic-acid assembly described in one FASTA, or generating a complex with experimental restraints. For binding-affinity prediction or a ligand-focused co-fold prefer alterlab-boltz; for protein-only or protein–protein folding prefer alterlab-alphafold; to dock into a fixed receptor prefer alterlab-diffdock. Part of the AlterLab Academic Skills suite.

Dispatch long-running GPU/CPU jobs to remote compute with a provider-agnostic submit → poll → harvest pattern across SLURM/HPC (sbatch, squeue, sacct) and managed APIs (Modal, RunPod, GCP Batch / Vertex AI). Use when submitting a batch job to a cluster, polling job status, retrieving result artifacts from a scheduler or cloud GPU provider, or writing a portable job-submission wrapper; the foundation-model skills (alterlab-alphafold, alterlab-boltz, alterlab-rfdiffusion, and siblings) dispatch their GPU work through this pattern. For Modal-specific serverless container deployment and autoscaling prefer alterlab-modal instead. Part of the AlterLab Academic Skills suite.

Extract and preprocess tiles from whole-slide images (WSI) with histolab — OpenSlide-backed slide loading, tissue detection and masks, Random/Grid/Score tile extraction, and image/morphological filters for H&E preprocessing. Use when the user needs lightweight WSI slide preprocessing — building tile datasets for ML training, tissue segmentation, or quick tile-based inspection of histopathology slides. For end-to-end computational-pathology, deep-learning model training, nucleus segmentation, or multiplexed/spatial-proteomics (CODEX, Vectra) pipelines prefer alterlab-pathml instead. Part of the AlterLab Academic Skills suite.

Simulates open quantum systems with QuTiP, the Quantum Toolbox in Python, solving Lindblad master equations (mesolve), Monte Carlo trajectories (mcsolve), and unitary dynamics (sesolve). Use when studying master-equation or Lindblad dynamics, decoherence, dissipation, quantum optics, cavity QED, or open-system time evolution. NOT for circuit-based quantum computing or hardware execution — for IBM Quantum circuits prefer alterlab-qiskit, for Google Quantum AI or NISQ circuits prefer alterlab-cirq, and for gradient-trained quantum ML prefer alterlab-pennylane. Part of the AlterLab Academic Skills suite.

Build, 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.

Run full computational-pathology workflows with PathML — whole-slide-image (WSI) analysis across 160+ slide formats, multiplexed immunofluorescence (CODEX, Vectra, MERFISH), nucleus segmentation/classification (HoVer-Net, HACTNet), tissue- and cell-graph construction, HDF5 dataset management, and deep-learning model training on pathology data. Use when the user builds end-to-end deep-learning pathology pipelines, analyzes multiplexed or spatial-proteomics slides, or segments nuclei. For lightweight H&E slide preprocessing, tissue masking, or plain Random/Grid/Score tile extraction prefer alterlab-histolab instead. Part of the AlterLab Academic Skills suite.

Run the standard single-cell RNA-seq analysis pipeline with Scanpy on AnnData — QC filtering, normalization, dimensionality reduction (PCA, UMAP, t-SNE), Leiden/Louvain clustering, marker/differential expression, PAGA trajectories, and plotting. Use when analyzing scRNA-seq data through clustering, cell-type annotation, DE, or pseudotime workflows; for building or reading the .h5ad data structure itself (layers, obs/var, concatenation, backed mode) prefer alterlab-anndata instead, and for RNA velocity from spliced/unspliced counts prefer alterlab-scvelo instead. Part of the AlterLab Academic Skills suite.

Run RNA velocity analysis with scVelo on single-cell RNA-seq data — estimate cell-state transitions from spliced/unspliced mRNA dynamics, infer trajectory direction, compute latent time, and identify driver genes. Use when adding directionality to trajectories or studying differentiation dynamics from spliced/unspliced layers (velocyto/STARsolo output); for the general QC, clustering, UMAP, and differential-expression analysis pipeline prefer alterlab-scanpy instead, and for .h5ad data-structure I/O and layer wrangling prefer alterlab-anndata instead. Part of the AlterLab Academic Skills suite.

Wraps RDKit in a high-level, pandas-friendly datamol interface with sensible defaults for everyday drug discovery — SMILES/SDF loading into DataFrames, molecule standardization, descriptors, fingerprints, Butina clustering, 3D conformer generation, scaffold analysis, and parallel batch processing, returning native rdkit.Chem.Mol objects. Use when running standard cheminformatics pipelines on molecule tables with minimal boilerplate; for low-level control, custom sanitization, or specialized algorithms prefer alterlab-rdkit. Part of the AlterLab Academic Skills suite.

Runs molecular machine learning with DeepChem — diverse featurizers, pre-built MoleculeNet benchmark datasets, and pre-trained models (ChemBERTa, GROVER) for property prediction (ADMET, toxicity, solubility) via traditional ML or graph neural networks. Use when running end-to-end molecular ML experiments that need MoleculeNet benchmarks, scaffold splitting, or ready-made models with minimal setup; for building custom PyTorch graph architectures prefer alterlab-torchdrug, and for standalone molecule-to-feature-vector generation prefer alterlab-molfeat. Part of the AlterLab Academic Skills suite.