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Explorer/MCP/iflow-mcp/abacus-mcp-server
LOCAL

ABACUS MCP Server

iflow-mcp/abacus-mcp-server

Enables first-principles calculations (SCF, structure optimization, molecular dynamics, etc.) for quantum chemistry and materials science using ABACUS, with intelligent parameter suggestions and result analysis through natural language.

↗iflow-mcp/abacus-mcp-serverExternal link; availability not verifiedLicenseGPL 3.0Local-only
The Ghost
This server runs locally on your machine. We can't scan it remotely; review the source code before installing.
Time indexed (4mo)
0toolsLocal/ STDIO4moindexed
Checked May 28, 2026
The scanner shows
This server runs locally. We can't scan it remotely; review the source code before installing.
First indexed May 28, 2026
Server Profile
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Tools catalogued
0
No tools reported by this server.
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Hosting
Local / STDIO
Runs on your machine. Has access to your filesystem, SSH keys, and environment variables.
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Registry presence
Not verified
Not yet verified by the Official MCP Registry.
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Liveness
—
No liveness checks recorded yet.
Publisher Verification
Not listed on the Official MCP Registry.
Source repository is available for review.
↗iflow-mcp/abacus-mcp-serverExternal link; availability not verified
Environment variables (3)
PSEUDO_DIRstringOPTIONALdefault: ./pseudos
Path to the pseudopotential directory
ABACUS_COMMANDstringOPTIONALdefault: abacus
Path to the ABACUS executable
ABACUS_WORK_DIRstringOPTIONALdefault: ./calculations
Working directory for calculations

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