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MCP server · Science

MACE MCP Server

· github.com/Jamessfks/MACE-MCP-Server

Run MACE atomistic simulations through AI assistants via the Model Context Protocol: https://pypi.org/project/mace-mcp-server/

Unclaimed science
InstallView source
34Low

Scored a month ago · breakdown

About MACE MCP Server

MACE MCP Server is an MCP server in the Science category: run MACE atomistic simulations through AI assistants via the Model Context Protocol: https://pypi.org/project/mace-mcp-server/.

Install

From source
git clone https://github.com/Jamessfks/MACE-MCP-Server

This server has no ConduID identity, so agent calls to it are not receipted. Pin the version you install and review the source before granting it credentials.

Tools (4)

molecular_dynamicsNVT / NPT / NVE simulations with trajectory output

Parameters not published.

optimizeGeometry optimization (BFGS / FIRE)

Parameters not published.

single_pointEnergy, forces, and stress evaluation

Parameters not published.

vibrational_frequenciesNormal modes, IR intensities, and thermodynamics

Parameters not published.

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Questions

About MACE MCP Server

How do I install MACE MCP Server?

No package has been published for this server, so install it from source: clone the repository and follow its README.

Is MACE MCP Server safe to use with an AI agent?

Its trust score is 34 out of 100 (low). Conduid hasn't run static security checks on this repository yet, so review the source yourself before granting it credentials. It has no ConduID identity yet, so agent calls to it are not receipted.

Is MACE MCP Server still maintained?

Conduid hasn't recorded a commit date for this repository yet. Check the repository directly for recent activity.