Materials Studio
MCP server for automating BIOVIA Materials Studio 2020 through MaterialsScript to run molecular modeling and computational chemist
Automates BIOVIA Materials Studio 2020 through MaterialsScript and MatServer integration, exposing tools for molecular building, geometry optimization, and energy calculations via Forcite and CASTEP engines. Supports custom MaterialsScript Perl script execution, structure file import and export across standard formats, and automated detection of the local Materials Studio installation path. Designed for computational chemistry workflows driven by Claude Code.
Source
Repository: https://github.com/noc228076/materials-studio-mcp
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