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SkillsMP has collected 477 skills from InternScience/DrClaw. Open a skill to review its source and details.
InternScience/DrClawShowing 40 of 477 collected skills.
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…
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…
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…
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…
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.
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…
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…
Assess drug risks and adverse effects using FDA drug database to retrieve safety information and risk profiles.
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-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…
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…
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…
Lead Compound Optimization - Optimize a lead compound: validate SMILES, compute drug-likeness, predict ADMET properties, and check ChEMBL bioactivity. Use this skill for medicinal chemistry tasks involving is valid smiles calculate mol drug chemistry pred…
Molecular Docking Pipeline - Complete docking workflow: retrieve protein structure, predict binding pockets, prepare receptor, and dock ligand. Use this skill for structural biology tasks involving retrieve protein data by pdbcode run fpocket convert pdb to…
One Health Pathogen Analysis - One Health analysis: pathogen genome, cross-species gene comparison, antimicrobial drugs, and environmental context. Use this skill for one health tasks involving get genome dataset report by taxon get homology symbol get…
Retrieve disease-associated targets from Open Targets using disease EFO IDs to identify therapeutic targets.
Orphan Drug & Rare Disease Analysis - Analyze orphan drugs: Monarch disease phenotypes, OpenTargets targets, FDA drug data, and clinical studies. Use this skill for orphan drug development tasks involving get joint associated diseases by HPO ID list get…
Pandemic Preparedness Analysis - Pandemic analysis: virus genome, taxonomy, drug candidates, and literature intelligence. Use this skill for public health tasks involving get virus dataset report get virus by taxon genome get mechanism of action by drug name…
Pediatric Drug Safety Review - Evaluate pediatric drug safety: pediatric use info, child safety, dosage forms, and overdosage info from FDA. Use this skill for pediatric pharmacology tasks involving get pediatric use info by drug name get child safety info by…
Personalized Medicine Report - Generate personalized medicine report: pharmacogenomics, variant effects, drug safety, and clinical pharmacology. Use this skill for precision medicine tasks involving get pharmacogenomics info by drug name get vep hgvs get…
Pharmacogenomics Analysis - Pharmacogenomics analysis: FDA pharmacogenomics info, variant effects, ClinVar pathogenicity, and gene expression. Use this skill for pharmacogenomics tasks involving get pharmacogenomics info by drug name get vep hgvs clinvar…
Pharmacokinetics Profile Builder - Build a PK profile: FDA pharmacokinetics, clinical pharmacology, dosage info, and molecular properties. Use this skill for pharmacology tasks involving get pharmacokinetics by drug name get clinical pharmacology by drug name…
Polypharmacology Analysis - Analyze a drug's multi-target pharmacology: get targets from ChEMBL, functional enrichment from STRING, and pathway links from KEGG. Use this skill for pharmacology tasks involving get target by name get functional enrichment kegg…
Precision Oncology Workflow - Precision oncology: tumor expression profiling, variant analysis, targeted therapy lookup, and clinical trials. Use this skill for precision oncology tasks involving get gene expression across cancers get vep hgvs get associated…
Protein-Drug Interaction Profiling - Profile protein-drug interactions: protein properties, drug structure, binding affinity prediction, and interaction data. Use this skill for molecular pharmacology tasks involving calculate protein sequence properties…