Chemistry
Installable Claude components for cheminformatics, computational chemistry, chemical structure handling, reaction prediction, retrosynthesis, and chemistry-aware language interfaces.
Anthropic PubMed Connector
MCP server · Anthropic · GA
Anthropic-managed NCBI literature search via PubMed and PubMed Central.
AutoDock Vina (Claude Skill)
Claude Skill · SciAgent · GA
Molecular docking with AutoDock Vina (Python API).
BGPT Paper Search (Claude Skill)
Claude Skill · K-Dense · GA
Search scientific papers and retrieve structured experimental data extracted from full-text studies via the BGPT MCP server.
BioContextAI Knowledgebase MCP
MCP server · BioContextAI · GA
Read-only MCP that unifies 14+ biomedical databases (Antibody Registry, UniProt, STRING, AlphaFold, KEGG, Open Targets) for immune and protein-context queries.
BioMCP
MCP server · GenomOncology · GA
Unified biomedical lookup across PubMed, ClinicalTrials.gov, MyVariant, and OpenFDA.
BioPython (Claude Skill)
Claude Skill · K-Dense · GA
Comprehensive molecular biology toolkit.
BioRender Connector
MCP server · BioRender · GA
Scientific-figure assembly from the 50,000+ BioRender icon and template library.
BioServices (Claude Skill)
Claude Skill · K-Dense · GA
Unified Python interface to 40+ bioinformatics services.
Biomni (Claude Skill)
Claude Skill · Stanford SNAP Lab · GA
General-purpose biomedical AI agent that plans and runs multi-step research workflows across genomics, drug discovery, and clinical analysis.
COBRApy (Claude Skill)
Claude Skill · K-Dense · GA
Claude skill driving COBRApy for constraint-based metabolic modelling — FBA, FVA, gene knockouts, flux sampling, gapfilling on SBML genome-scale models.
ChEMBL Connector
Claude Code Plugin · EMBL-EBI (Anthropic-packaged) · GA
Anthropic-packaged plugin and Claude.ai connector over EMBL-EBI’s ChEMBL bioactive-compound database — compound, target, bioactivity, and mechanism-of-action lookup.
ChemCP
MCP server · Scott Reed · GA
MCP App that renders interactive 2D molecular structures from SMILES and computes basic properties inside Claude conversations via RDKit.js.
ChemLint
MCP server · molML (TU/e) · GA
MCP server exposing 150+ molecular machine-learning tools — SMILES cleaning, descriptors, similarity, clustering, model training — so Claude runs cheminformatics ML without Python scripting.
Composer
Plugin · Scripps AI Enablement · Beta
Turns a plain-language scientific problem into a grounded, runnable Claude solution composed from this catalog, reusing recipes and recommending autonomous systems.
Consensus Plugin
Claude Code Plugin · Consensus · GA
Consensus.app MCP plugin bringing AI-powered scientific literature search and evidence synthesis into Claude across all research areas.
CovaSyn Chemistry MCP
MCP server · CovaSyn · GA
Hosted deterministic cheminformatics MCP with 130+ tools spanning ADMET, docking, retrosynthesis, ICH M7 toxicology, NMR/MS, and biologics design.
Database Lookup (Claude Skill)
Claude Skill · K-Dense · GA
Search 78 public scientific, biomedical, materials science, and economic databases via REST APIs.
Datamol (Claude Skill)
Claude Skill · K-Dense · GA
Claude skill wrapping Datamol — an RDKit-based Python library for molecular standardization, transformations, featurization, and parallel processing on large compound libraries.
DeepChem (Claude Skill)
Claude Skill · K-Dense · GA
Claude skill driving DeepChem for molecular machine learning — graph neural nets (GCN, GAT, MPNN, AttentiveFP), featurization, and the MoleculeNet benchmarks (toxicity, ADMET, quantum properties).
DrugBank MCP Server
MCP server · openpharma-org (community) · GA
Community MCP server exposing a local DrugBank SQLite (17k+ drugs) with 16 query methods for repurposing, target lookup, interactions, and structural similarity.
Guide to Pharmacology (GtoPdb) (Claude Skill)
Claude Skill · SciAgent · GA
Query IUPHAR/BPS Guide to Pharmacology (GtoPdb) for receptor-ligand interactions, target/ligand metadata, families, and approved drugs.
Hypothesis Generation (Claude Skill)
Claude Skill · K-Dense · GA
Structured hypothesis formulation from observations.
Literature Review (Claude Skill)
Claude Skill · K-Dense · GA
Conduct comprehensive, systematic literature reviews using multiple academic databases (PubMed, arXiv, bioRxiv, Semantic Scholar, etc.).
MedChem (Claude Skill)
Claude Skill · K-Dense · GA
Claude skill wrapping MedChem — drug-likeness filters (Lipinski, Veber, Egan, Muegge), ADMET-flag detection, and medicinal-chemistry alerts on top of RDKit.
Molecule-MCP
MCP server · chatmol · GA
MCP bundle letting Claude drive PyMOL and ChimeraX visualization and run GROMACS molecular dynamics simulations via natural language.
Molfeat (Claude Skill)
Claude Skill · K-Dense · GA
Claude skill wrapping Molfeat — a unified API over 100+ molecular featurizers spanning classical fingerprints, descriptors, and pre-trained chemical foundation-model embeddings.
Paper Lookup (Claude Skill)
Claude Skill · K-Dense · GA
Search 10 academic paper databases via REST APIs for research papers, preprints, and scholarly articles.
PubChem MCP Server
MCP server · JackKuo666 · GA
MCP server that lets Claude query PubChem for compounds by name, SMILES, CID, or formula and pull structure files.
PyTDC (Claude Skill)
Claude Skill · K-Dense · GA
Claude skill driving PyTDC for Therapeutics Data Commons benchmarks — ADMET, drug-target / drug-drug interactions, drug response, molecular generation, retrosynthesis.
RDKit Cheminformatics Skill
Claude Skill · K-Dense · GA
Claude skill providing RDKit recipes for SMILES parsing, descriptors, fingerprints, substructure search, reactions, and 2D/3D molecular generation.
RDKit MCP Server
MCP server · TandemAI · GA
MCP server exposing the full RDKit API as discrete tool calls so Claude can run cheminformatics without executing Python locally.
Rowan
Claude Skill, MCP server · K-Dense / Rowan · GA
Cloud-native molecular modeling and medicinal-chemistry workflow platform, installable as a Claude Skill or an MCP server.
SAR Analysis (Claude Skill)
Claude Skill · SciAgent · GA
Structure-activity relationship (SAR) analysis guide for drug discovery including molecular descriptor analysis, scaffold analysis, and activity cliff detection
Scholar Gateway Connector (Wiley)
MCP server · Wiley · Beta
Wiley remote connector for peer-reviewed scholarly content — 3M+ articles, 300+ Life Sciences journals.
Scientific Brainstorming (Claude Skill)
Claude Skill · K-Dense · GA
Creative research ideation and exploration.
Scientific Critical Thinking (Claude Skill)
Claude Skill · K-Dense · GA
Evaluate scientific claims and evidence quality.
Synapse.org Connector
MCP server · Sage Bionetworks · GA
Discovery and metadata retrieval across Synapse-hosted biomedical datasets and consortium projects.
ToolUniverse
MCP server · Zitnik Lab (Harvard Medical School) · MIT Lincoln Laboratory · GA
Harvard / MIT MCP server bundling 600+ vetted scientific tools — literature, chemistry, omics, clinical trials — for AI-scientist-style hypothesis exploration.
TorchDrug (Claude Skill)
Claude Skill · K-Dense · GA
PyTorch-native graph neural networks for molecules and proteins.
UniChem (Claude Skill)
Claude Skill · SciAgent · GA
Cross-reference compound IDs across 20+ databases (ChEMBL, DrugBank, PubChem, ChEBI, PDB, SureChEMBL, HMDB, DrugCentral, BindingDB) via UniChem REST API.
ZINC (Claude Skill)
Claude Skill · SciAgent · GA
Query ZINC15/ZINC22 virtual compound libraries (1.4B compounds, 750M purchasable).
bio-research (Claude Code Plugin)
Claude Code Plugin · Anthropic · GA
Umbrella plugin bundling 5 analysis skills and ~10 MCP connectors (PubMed, BioRender, ChEMBL, Synapse, Wiley, Open Targets, Benchling, etc.) for preclinical R&D.
instrument-data-to-allotrope
Claude Skill · Anthropic · GA
Converts 40+ lab-instrument output formats to Allotrope Simple Model JSON / CSV for LIMS and data-lake ingestion.
matchms (Claude Skill)
Claude Skill · K-Dense · GA
Spectral similarity and compound identification for metabolomics.
scientific-problem-selection
Claude Skill · Anthropic · GA
Structured framework for research project ideation, risk assessment, and troubleshooting, based on Fischbach & Walsh (Cell 2024).
smina (Claude Skill)
Claude Skill · SciAgent · GA
Smina molecular docking CLI.
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