diff --git a/README.md b/README.md index 2439010..782f9c2 100644 --- a/README.md +++ b/README.md @@ -106,36 +106,70 @@ Use our newly released MCP server that allows you to use any Claude Skill in any ## 💡 Quick Examples -Once you've installed the skills, you can ask Claude: +Once you've installed the skills, you can ask Claude to execute complex multi-step scientific workflows: -### Cheminformatics +### End-to-End Drug Discovery Pipeline ``` -"Use PubChem to find information about aspirin and calculate its molecular properties" +"I need to find novel EGFR inhibitors for lung cancer treatment. Query ChEMBL for existing +EGFR inhibitors with IC50 < 50nM, analyze their structure-activity relationships using RDKit, +generate similar molecules with improved properties using datamol, perform virtual screening +with DiffDock against the AlphaFold-predicted EGFR structure, and search PubMed for recent +papers on resistance mechanisms to prioritize scaffolds. Finally, check COSMIC for common +EGFR mutations and assess how our candidates might interact with mutant forms." ``` -### Bioinformatics +### Comprehensive Single-Cell Analysis Workflow ``` -"Analyze this protein sequence using BioPython and predict its secondary structure" +"Load this 10X Genomics dataset using Scanpy, perform quality control and doublet removal, +integrate with public data from Cellxgene Census for the same tissue type, identify cell +populations using known markers from NCBI Gene, perform differential expression analysis +with PyDESeq2, run gene regulatory network inference with Arboreto, query Reactome and +KEGG for pathway enrichment, and create publication-quality visualizations with matplotlib. +Then cross-reference top dysregulated genes with Open Targets to identify potential +therapeutic targets." ``` -### Data Analysis +### Multi-Omics Integration for Biomarker Discovery ``` -"Perform exploratory data analysis on this RNA-seq dataset and create publication-quality plots" +"I have RNA-seq, proteomics, and metabolomics data from cancer patients. Use PyDESeq2 for +differential expression, pyOpenMS to analyze mass spec data, and integrate metabolite +information from HMDB and Metabolomics Workbench. Map proteins to pathways using UniProt +and KEGG, identify protein-protein interactions via STRING, correlate multi-omics layers +using statsmodels, and build a machine learning model with scikit-learn to predict patient +outcomes. Search ClinicalTrials.gov for ongoing trials targeting the top candidates." ``` -### Drug Discovery +### Structure-Based Virtual Screening Campaign ``` -"Search ChEMBL for kinase inhibitors with IC50 < 100nM and visualize their structures" +"I want to discover allosteric modulators for a protein-protein interaction. Retrieve the +AlphaFold structure for both proteins, identify the interaction interface using BioPython, +search ZINC15 for molecules with suitable properties for allosteric binding (MW 300-500, +logP 2-4), filter for drug-likeness using RDKit, perform molecular docking with DiffDock +to identify potential allosteric sites, rank candidates using DeepChem's property prediction +models, check PubChem for suppliers, and search USPTO patents to assess freedom to operate. +Finally, generate analogs with MedChem and molfeat for lead optimization." ``` -### Literature Review +### Clinical Genomics Variant Interpretation Pipeline ``` -"Search PubMed for recent papers on CRISPR-Cas9 applications in cancer therapy" +"Analyze this VCF file from a patient with suspected hereditary cancer. Use pysam to parse +variants, annotate with Ensembl for functional consequences, query ClinVar for known +pathogenic variants, check COSMIC for somatic mutations in cancer, retrieve gene information +from NCBI Gene, analyze protein impact using UniProt, search PubMed for case reports of +similar variants, query ClinPGx for pharmacogenomic implications, and generate a clinical +report with ReportLab. Then search ClinicalTrials.gov for precision medicine trials matching +the patient's profile." ``` -### Protein Structure +### Systems Biology Network Analysis ``` -"Retrieve the AlphaFold structure prediction for human p53 and analyze confidence scores" +"Starting with a list of differentially expressed genes from my RNA-seq experiment, query +NCBI Gene for detailed annotations, retrieve protein sequences from UniProt, identify +protein-protein interactions using STRING, map to biological pathways in Reactome and KEGG, +analyze network topology with Torch Geometric, identify hub genes and bottleneck proteins, +perform gene regulatory network reconstruction with Arboreto, integrate with Open Targets +for druggability assessment, use PyMC for Bayesian network modeling, and create interactive +network visualizations. Finally, search GEO for similar expression patterns across diseases." ``` ---