Tools & Automation

CLI tools, utilities, converters, workflow automation, and productivity helpers

skills in category: 47,547
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Showing 14,185–14,208 of 47,547 skills

Enzyme Inhibitor DesignAEnzyme 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).toolspythonapiVotes: 0GitHub stars: 170
Drugsda Rgroup SamplingAGenerate new molecules sampling from the input scaffold.toolspythonapiVotes: 0GitHub stars: 170
Drugsda P2rankA```python import json from mcp.client.streamable_http import streamablehttp_client from mcp import ClientSessiontoolspythonapiVotes: 0GitHub stars: 170
Drugsda Mol2mol SamplingAGenerate new molecules sampling from the input molecule.toolspythonapiVotes: 0GitHub stars: 170
Drugsda Mol SimilarityACompute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.toolspythonapiVotes: 0GitHub stars: 170
Drugsda Linker SamplingAGenerate new molecules sampling from the input two warhead fragments.toolspythonapiVotes: 0GitHub stars: 170
Skills DirectorySkills Directory 3 slots · $399/mo · one ad per page · sponsors can never buy grades.See placements
Drugsda EsmfoldAUse ESMFold model to predict 3D structure of the input protein sequence.toolspythonapiVotes: 0GitHub stars: 170
Drugsda Denovo SamplingAGenerate new molecules de novo.toolspythonapiVotes: 0GitHub stars: 170
Drugsda Data ValidACheck if the input protein sequence or molecule SMILES string is valid.toolspythonapiVotes: 0GitHub stars: 170
Drugsda Compound RetrieveARetrieve SMILES strings from PubChem using compound names.toolspythonapiVotes: 0GitHub stars: 170
Drug Warning ReportADrug 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).toolspythonreactVotes: 0GitHub stars: 170
Drug Target StructureADrug-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).toolspythonapiVotes: 0GitHub stars: 170
Drug Target IdentificationADrug 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).toolspythonapiVotes: 0GitHub stars: 170
Drug Safety ProfileAComprehensive 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).toolspythonreactVotes: 0GitHub stars: 170
Drug Repurposing ScreenADrug 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).toolspythonapiVotes: 0GitHub stars: 170
Drug Metabolism StudyADrug 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).toolspythonapiVotes: 0GitHub stars: 170
Drug Interaction CheckerADrug-Drug Interaction Checker - Check interactions between multiple drugs using FDA interaction data, PubChem compound info, and ChEMBL target overlap analysis. Use this skill for clinical pharmacology tasks involving get drug interactions by drug name get compound by name get target by name. Combines 3 tools from 3 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170
Drug Indication MappingADrug-Indication Mapping - Map drug indications: ChEMBL drug indications, FDA indications, OpenTargets drug associations, and literature. Use this skill for clinical informatics tasks involving get drug indication by id get indications by drug name get associated drugs by target name pubmed search. Combines 4 tools from 4 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170
Disease Knowledge GraphADisease Knowledge Graph - Build disease knowledge graph: OpenTargets targets, drugs, publications, and phenotypes. Use this skill for disease informatics tasks involving get associated targets by disease efoId get associated drugs by target name get publications by drug name get associated phenotypes by disease efoId. Combines 4 tools from 1 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170
Disease Drug LandscapeADisease-Drug Landscape Analysis - Map the drug landscape for a disease: OpenTargets disease drugs, FDA indications, and clinical studies. Use this skill for drug discovery tasks involving get associated drugs by target name get drug names by indication get clinical studies info by drug name. Combines 3 tools from 2 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170
Disease Compound PipelineADisease-Specific Compound Screening - Screen compounds for disease: get DLEPS score for disease relevance, predict ADMET, and check drug-likeness. Use this skill for drug discovery tasks involving calculate dleps score pred molecule admet calculate mol drug chemistry get compound by name. Combines 4 tools from 3 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170
Compound To Drug PipelineACompound-to-Drug Analysis Pipeline - Full compound-to-drug pipeline: name-to-SMILES conversion, structure analysis, drug-likeness, and FDA drug lookup. Use this skill for drug development tasks involving NameToSMILES ChemicalStructureAnalyzer calculate mol drug chemistry get drug by name. Combines 4 tools from 4 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170
Comparative Drug AnalysisAComparative Drug Analysis - Compare drugs: structure analysis, PubChem data, FDA safety, and ChEMBL bioactivity. Use this skill for comparative pharmacology tasks involving ChemicalStructureAnalyzer get compound by name get adverse reactions by drug name search activity. Combines 4 tools from 4 SCP server(s).toolspythonreactVotes: 0GitHub stars: 170
Combinatorial ChemistryACombinatorial Chemistry Library Design - Design combinatorial library: validate core SMILES, generate variants, compute properties, and predict ADMET for library. Use this skill for combinatorial chemistry tasks involving is valid smiles calculate mol basic info calculate mol drug chemistry pred molecule admet. Combines 4 tools from 2 SCP server(s).toolspythonapiVotes: 0GitHub stars: 170