chemspace-mcp

lukasmki/chemspace-mcp

3.2

If you are the rightful owner of chemspace-mcp and would like to certify it and/or have it hosted online, please leave a comment on the right or send an email to dayong@mcphub.com.

The Chemspace-MCP server is a Model Context Protocol server that acts as a wrapper for the Chemspace API, allowing AI agents to perform various chemical searches.

Tools

Functions exposed to the LLM to take actions

search_exact

Searches for exact molecular matches by SMILES string.

search_substructure

Searches for compounds containing a specific substructure.

search_similarity

Searches for structurally similar compounds.

Prompts

Interactive templates invoked by user choice

No prompts

Resources

Contextual data attached and managed by the client

No resources