Claude Skills by SpectrAI-Initiative

Drug Metabolism Study - Study drug metabolism: FDA metabolism data, ChEMBL metabolism records, PubChem compound data, and clinical pharmacology. Use this skill for drug metabolism tasks involving get metabolism by id get pharmacokinetics by drug name get compound by name get clinical pharmacology by drug name. Combines 4 tools from 3 SCP server(s).

Drug Repurposing Screening - Screen existing drugs for new indications by querying FDA indications, ChEMBL mechanisms, and OpenTargets drug-disease associations. Use this skill for drug discovery tasks involving get indications by drug name get mechanism of action by drug name get drug by name get associated drugs by target name. Combines 4 tools from 3 SCP server(s).

Comprehensive Drug Safety Profile - Build a complete drug safety profile by combining FDA adverse reactions, boxed warnings, drug interactions, and contraindications. Use this skill for pharmacology tasks involving get adverse reactions by drug name get boxed warning info by drug name get drug interactions by drug name get contraindications by drug name. Combines 4 tools from 1 SCP server(s).

Drug Target Identification Pipeline - Identify drug targets for a disease by querying OpenTargets for associated targets, then retrieve detailed target info from ChEMBL and protein data from UniProt. Use this skill for drug discovery tasks involving get associated targets by disease efoId get target by name get general info by protein or gene name. Combines 3 tools from 3 SCP server(s).

Drug-Target Structural Biology - Integrate drug and target structure: get drug from ChEMBL, target structure from PDB, dock them, and predict ADMET. Use this skill for structural pharmacology tasks involving get drug by name retrieve protein data by pdbcode quick molecule docking pred molecule admet. Combines 4 tools from 3 SCP server(s).

Drug Warning Intelligence Report - Generate drug warning report: ChEMBL drug warnings, FDA boxed warnings, adverse reactions, and environmental warnings. Use this skill for pharmacovigilance tasks involving get drug warning by id get boxed warning info by drug name get adverse reactions by drug name get environmental warning by drug name. Combines 4 tools from 2 SCP server(s).

Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the input molecules.

Retrieve SMILES strings from PubChem using compound names.

Check if the input protein sequence or molecule SMILES string is valid.

Generate new molecules de novo.

Calculate disease reversal scores for the provided molecules relative to a specific disease.

Compute the drug-likeness metrics (QED score and Number of violations of Lipinski's Rule of Five) of the input candidate molecules (SMILES format).

Use ESMFold model to predict 3D structure of the input protein sequence.

Implement data transmission between the local computer and the MCP Server using Base64 encoding

Generate new molecules sampling from the input two warhead fragments.

Calculate different types of molecular properties based on SMILES strings, covering basic physicochemical properties, hydrophobicity, hydrogen bonding capability, molecular complexity, topological structures, charge distribution, and custom complexity metrics, respectively.

Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.

Generate new molecules sampling from the input molecule.

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Generate new peptide molecules sampling from the input peptide sequence.

Given a protein sequence and its structure, employ ProSST model to predict mutation effects and obtain the top-k mutated sequences.

Generate new molecules sampling from the input scaffold.

Search the protein information from the input gene name and downloads the optimal PDB or AlphaFold structures.

Electrical Circuit Analysis - Analyze electrical circuit: compute capacitance, convert resistance units, calculate total charge, and duty cycle. Use this skill for electrical engineering tasks involving convert resistance kOhm to Ohm calculate geometric term calculate absolute error. Combines 3 tools from 3 SCP server(s).

Electromagnetic Field Analysis - Analyze EM fields: vacuum permittivity, total charge, radiation pressure, and photon calculations. Use this skill for electromagnetics tasks involving calculate vacuum permittivity calculate total charge calculate radiation pressure calculate total power. Combines 4 tools from 2 SCP server(s).

Energy Unit Conversion Pipeline - Convert between energy units and analyze: MeV to Joules, scientific notation, and error calculation. Use this skill for physics tasks involving convert energy MeV to J convert to scientific notation format scientific notation calculate absolute error. Combines 4 tools from 2 SCP server(s).

Retrieve genomic sequences from Ensembl database using transcript or gene IDs to obtain nucleotide and protein sequences.

Enzyme Active Site Engineering - Engineer enzyme: identify active site residues, predict pocket, analyze binding site, and predict mutations. Use this skill for enzymology tasks involving predict functional residue run fpocket get binding site by id pred mutant sequence. Combines 4 tools from 3 SCP server(s).

Enzyme Inhibitor Design - Design enzyme inhibitor: target structure, pocket prediction, compound screening, and ADMET assessment. Use this skill for enzyme pharmacology tasks involving retrieve protein data by pdbcode pred pocket prank quick molecule docking pred molecule admet calculate mol drug chemistry. Combines 5 tools from 2 SCP server(s).

Epigenetics & Drug Response - Link epigenetics to drug response: gene regulation, variant effects, drug interactions, and expression. Use this skill for epigenetic pharmacology tasks involving get overlap region get vep hgvs get drug interactions by drug name get gene expression across cancers. Combines 4 tools from 3 SCP server(s).

Epigenomic Landscape Mapping - Map epigenomic landscape: overlapping features, regulatory elements, binding matrices, and phenotype links. Use this skill for epigenomics tasks involving get overlap region get phenotype region get species binding matrix get track data. Combines 4 tools from 2 SCP server(s).

Experimental Data Processing - Process experimental data: absolute error, mean square, max value, scientific notation formatting. Use this skill for experimental physics tasks involving calculate absolute error calculate mean square calculate max value format scientific notation convert to scientific notation. Combines 5 tools from 1 SCP server(s).

Assess drug risks and adverse effects using FDA drug database to retrieve safety information and risk profiles.

Full Protein Characterization - Complete protein characterization: validate sequence, compute all properties, predict structure, and analyze pockets. Use this skill for protein biochemistry tasks involving is valid protein sequence analyze protein ComputeProtPara pred protein structure esmfold run fpocket. Combines 5 tools from 4 SCP server(s).

Functional Group Profiling - Profile functional groups: radical assignment, H-bond analysis, aromaticity, and abbreviation condensation. Use this skill for organic chemistry tasks involving AssignRadicals GetHBANum AromaticityAnalyzer CondenseAbbreviationSubstanceGroups. Combines 4 tools from 2 SCP server(s).

Given a gene symbol (e.g. TPMT), query 3 public databases (ClinGen CAR, PharmGKB, Monarch) to obtain gene registry info, FDA drug labels, clinical annotations, and gene-phenotype associations. Save all results into a JSON file.

Gene Comprehensive Lookup - Comprehensive gene lookup: NCBI gene data, Ensembl gene info, UniProt protein data, and KEGG pathway links. Use this skill for bioinformatics tasks involving get gene metadata by gene name get lookup symbol get general info by protein or gene name kegg find. Combines 4 tools from 4 SCP server(s).

Gene-Disease Association Analysis - Analyze gene-disease associations: NCBI gene metadata, OpenTargets disease associations, TCGA expression, and Monarch phenotypes. Use this skill for medical genetics tasks involving get gene metadata by gene name get associated targets by disease efoId get gene expression across cancers get joint associated diseases by HPO ID list. Combines 4 tools from 4 SCP server(s).

Gene Expression Atlas - Build gene expression atlas: TCGA cancer expression, NCBI gene info, Ensembl gene details, and literature search. Use this skill for transcriptomics tasks involving get gene expression across cancers get gene metadata by gene name get lookup symbol search literature. Combines 4 tools from 4 SCP server(s).

Gene Family Evolution Analysis - Analyze gene family evolution: CAFE gene tree, homology, Ensembl gene tree, and taxonomy. Use this skill for molecular evolution tasks involving get cafe genetree member symbol get homology symbol get genetree member symbol get taxonomy classification. Combines 4 tools from 1 SCP server(s).

Gene Therapy Target Analysis - Analyze gene therapy target: gene info, variant pathogenicity, protein structure, and clinical evidence. Use this skill for gene therapy tasks involving get gene metadata by gene name get vep hgvs Protein structure prediction ESMFold clinvar search. Combines 4 tools from 4 SCP server(s).

Gene-to-Drug Discovery Pipeline - Full gene-to-drug pipeline: gene lookup, protein structure, binding pocket, virtual screening, and drug-likeness. Use this skill for translational medicine tasks involving get gene metadata by gene name pred protein structure esmfold run fpocket boltz binding affinity calculate mol drug chemistry. Combines 5 tools from 3 SCP server(s).

Gene-Variant-Drug Nexus - Connect gene variants to drugs: variant effect, gene-disease link, drug associations, and clinical evidence. Use this skill for translational genomics tasks involving get vep hgvs get associated targets by disease efoId get associated drugs by target name clinvar search. Combines 4 tools from 3 SCP server(s).

Genetic Counseling Variant Report - Generate variant report for genetic counseling: VEP, ClinVar, gene phenotype, and literature evidence. Use this skill for clinical genetics tasks involving get vep hgvs clinvar search get phenotype gene pubmed search. Combines 4 tools from 2 SCP server(s).

Genome Annotation Pipeline - Annotate a genome: NCBI annotation report, Ensembl gene lookup, UCSC tracks, and KEGG pathway links. Use this skill for genomics tasks involving get genome annotation report get lookup symbol list tracks kegg link. Combines 4 tools from 4 SCP server(s).

Calculate volumes of geometric shapes for engineering design and mathematical analysis.

Geometry & Trigonometry Suite - Solve geometry problems: calculate area, height from sine, angle in degrees, and increase factor. Use this skill for mathematics tasks involving calculate area calculate height from length and sine calculate phi deg calculate increase factor. Combines 4 tools from 1 SCP server(s).

Gene Ontology Analysis - Analyze GO terms: ChEMBL GO slim, STRING functional enrichment, STRING annotation, and Ensembl ontology. Use this skill for functional genomics tasks involving get go slim by id get functional enrichment get functional annotation get ontology name. Combines 4 tools from 3 SCP server(s).

Infectious Disease Analysis - Analyze infectious disease: virus data, taxonomy, antimicrobial drugs, and resistance literature. Use this skill for infectious disease tasks involving get virus dataset report get taxonomy get mechanism of action by drug name pubmed search. Combines 4 tools from 3 SCP server(s).

Analyze protein sequences using InterProScan to identify functional domains, protein families, and Gene Ontology (GO) annotations.