Odel

Chemistry MCP servers

A server here chemical compounds, molecules or reactions.

Not here: medications for patients.

ChemistryScientific computingEnvironment & climateAcademic papersWeatherEnergyEarth & ocean scienceAll of Science & research
85servers
53 remote32 localTagged by Odel's AI, which can make mistakes

Most popular in Chemistry

By GitHub stars, at most two per publisher
  1. Number 1: ChemDraw MCP (unofficial)@jurimaxam-dotcom/chemdraw-mcpMolecule names or SMILES to 2D structures, reactions, mechanisms, spectra - offline via RDKit.6% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.18 GitHub stars.
  2. Number 2: IKA Hotplate & Overhead Stirrer@k-dense-ai/labmcp-ikaMCP server for IKA hotplate stirrers and overhead stirrers (NAMUR commands).3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.17 GitHub stars.
  3. Number 3: JULABO Circulator@k-dense-ai/labmcp-julaboMCP server for JULABO heating and refrigerated circulators (CORIO, MAGIO, DYNEO).3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.17 GitHub stars.

Best fit

65 made for this, ranked by starsRemoteLocal
  1. Dense Evolution @tatopenn-cell/dense-evolutionReal quantum circuit simulator, VQE, molecular Hamiltonians, QM/MM forces, and MD via 21 tools.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.17 GitHub stars.
  2. Molecular @andylbrummer/molecular-mcpGPU-accelerated MCP server for molecular dynamics, N-body simulations, and particle systems4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.3 GitHub stars.
  3. Labmate @jonasrackl/labmate-mcp81 chemistry tools — literature, calculations, retrosynthesis3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.3 GitHub stars.
  4. ChemCP @scottmreed/chemcpMCP App that renders 2D molecular structures from SMILES using RDKit.js3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.2 GitHub stars.
  5. ColabFit @colabfit/colabfit-mcpAn MCP server that provides access to the ColabFit database5% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.2 GitHub stars.
  6. cmxflow @b-shields/cmxflowComposable, tunable cheminformatics workflows: library preparation, clustering, docking, and more.3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.2 GitHub stars.
  7. Anvil @the-warl0ck/anvil-mcpLocal physics/chemistry bench as MCP: plain words in, 12-domain simulations out.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.1 GitHub stars.
  8. live ChemDraw @maleitch/live-chemdraw-mcpConnects AI assistants to a live ChemDraw window on Windows via COM automation.3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from a package registry.1 GitHub stars.
  9. VMD Hydrate @wjgoarxiv/vmd-hydrate-mcpDrive VMD for GROMACS/LAMMPS analysis + clathrate-hydrate cage science (needs a local VMD)4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.1 GitHub stars.
  10. HEA-Bench @dfieser/hea-benchHigh-entropy alloy and oxide descriptors, phase rules, corpus, properties, and design tools.3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.1 GitHub stars.
  11. Jarroba Tools @invarato/jarroba-tools134 deterministic tools for your AI: logs, tests, SQL, diagrams, SPARQL. Local, no network.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.
  12. Saturday Materials @toki0413/saturday-materialsMaterials computing tools for AI agents: structures, engines, phonons, EOS, NEB, sampling, lineage.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.
  13. ChemGlyph @random-orbit/chemglyphPublication-quality chemical structure and reaction rendering for AI agents.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.
  14. Msds Chain @littleblakew/msds-chainChemical safety intelligence — 24 tools: compatibility, hazards, PPE, compliance, SDS lookup4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.
  15. DECIMER MCP Server @docminus/decimer-mcp-serverMCP server for DECIMER image-to-SMILES chemical structure recognition3% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.
  16. PubChem @mrfentmen/pubchem-mcpLook up chemical compound properties and synonyms from PubChem. No key required.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.
  17. ChEMBL @mrfentmen/chembl-mcpDrug molecules and bioactivity from the ChEMBL database. No key required.4% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from npm.
  18. Alchemite MCP @intellegens/alchemite-mcpDesign experiments and make predictions for materials & chemicals properties in your local agent6% chance this is malicious. Assessed by AI, which can make mistakes.Runs on your machine, installed from PyPI.

Also touches on Chemistry

3 where it is one part of a bigger job