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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,49 @@ | ||
| { | ||
| "name": "gpaw-computation", | ||
| "display_name": "GPAW Computation Server", | ||
| "description": "MCP server for running GPAW (Grid-based Projector Augmented Wave) computational calculations for materials science and quantum mechanics simulations.", | ||
| "repository": { | ||
| "type": "git", | ||
| "url": "https://github.com/pathintegral-institute/mcp.science" | ||
| }, | ||
| "homepage": "https://github.com/pathintegral-institute/mcp.science/tree/main/servers/gpaw-computation", | ||
| "author": { | ||
| "name": "Path Integral Institute", | ||
| "email": "[email protected]" | ||
| }, | ||
| "license": "MIT", | ||
| "categories": ["AI Systems"], | ||
| "tags": [ | ||
| "quantum", | ||
| "computation" | ||
| ], | ||
| "arguments": {}, | ||
| "installations": { | ||
| "python": { | ||
| "type": "python", | ||
| "command": "uvx", | ||
| "args": ["mcp-science", "gpaw-computation"], | ||
| "env": {}, | ||
| "description": "Install from GitHub using uvx", | ||
| "recommended": true | ||
| } | ||
| }, | ||
| "examples": [ | ||
| { | ||
| "title": "Run GPAW calculation", | ||
| "description": "Perform quantum mechanics calculations on materials structures", | ||
| "prompt": "Run a GPAW DFT calculation on a silicon crystal structure" | ||
| }, | ||
| { | ||
| "title": "Electronic structure analysis", | ||
| "description": "Analyze electronic properties of materials using GPAW", | ||
| "prompt": "Calculate the band structure and density of states for graphene" | ||
| }, | ||
| { | ||
| "title": "Materials optimization", | ||
| "description": "Optimize atomic structures using GPAW calculations", | ||
| "prompt": "Optimize the geometry of a perovskite structure using GPAW" | ||
| } | ||
| ], | ||
| "is_official": true | ||
| } | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,70 @@ | ||
| { | ||
| "name": "nemad", | ||
| "display_name": "NEMAD Materials Database", | ||
| "description": "MCP server for accessing the North East Materials Database (NEMAD) API to search materials by elements and chemical formulas in magnetic, thermoelectric, and superconductor databases.", | ||
| "repository": { | ||
| "type": "git", | ||
| "url": "https://github.com/pathintegral-institute/mcp.science" | ||
| }, | ||
| "homepage": "https://github.com/pathintegral-institute/mcp.science/tree/main/servers/nemad", | ||
| "author": { | ||
| "name": "Path Integral Institute" | ||
| }, | ||
| "license": "MIT", | ||
| "categories": ["Knowledge Base"], | ||
| "tags": [ | ||
| "materials", | ||
| "database" | ||
| ], | ||
| "arguments": { | ||
| "NEMAD_API_KEY": { | ||
| "description": "API key for accessing NEMAD database from nemad.org", | ||
| "required": true, | ||
| "example": "your-nemad-api-key" | ||
| } | ||
| }, | ||
| "tools": [ | ||
| { | ||
| "name": "nemad_search", | ||
| "description": "Search materials by elements in magnetic, thermoelectric, and superconductor databases" | ||
| }, | ||
| { | ||
| "name": "nemad_formula_search", | ||
| "description": "Search materials by exact chemical formula" | ||
| }, | ||
| { | ||
| "name": "nemad_read_results", | ||
| "description": "Read specific ranges of search results from previous queries" | ||
| } | ||
| ], | ||
| "installations": { | ||
| "python": { | ||
| "type": "python", | ||
| "command": "uvx", | ||
| "args": ["mcp-science", "nemad"], | ||
| "env": { | ||
| "NEMAD_API_KEY": "${NEMAD_API_KEY}" | ||
| }, | ||
| "description": "Install from GitHub using uvx", | ||
| "recommended": true | ||
| } | ||
| }, | ||
| "examples": [ | ||
| { | ||
| "title": "Search magnetic materials by elements", | ||
| "description": "Find magnetic materials containing iron and oxygen", | ||
| "prompt": "Search for magnetic materials containing iron and oxygen" | ||
| }, | ||
| { | ||
| "title": "Search by chemical formula", | ||
| "description": "Find materials with exact chemical formula", | ||
| "prompt": "Find materials with chemical formula Fe2O3" | ||
| }, | ||
| { | ||
| "title": "Search thermoelectric materials", | ||
| "description": "Find thermoelectric materials with specific elements", | ||
| "prompt": "Search thermoelectric materials containing bismuth and tellurium" | ||
| } | ||
| ], | ||
| "is_official": true | ||
| } |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,51 @@ | ||
| { | ||
| "name": "netket", | ||
| "display_name": "NetKet Quantum Physics", | ||
| "description": "MCP server for NetKet quantum many-body physics analysis. Create, analyze, and visualize quantum systems using natural language interfaces. Supports multiple lattice geometries and Hamiltonian models.", | ||
| "repository": { | ||
| "type": "git", | ||
| "url": "https://github.com/pathintegral-institute/mcp.science" | ||
| }, | ||
| "homepage": "https://github.com/pathintegral-institute/mcp.science/tree/main/servers/netket", | ||
| "author": { | ||
| "name": "Path Integral Institute" | ||
| }, | ||
| "license": "MIT", | ||
| "categories": ["AI Systems"], | ||
| "tags": [ | ||
| "quantum", | ||
| "physics" | ||
| ], | ||
| "installations": { | ||
| "python": { | ||
| "type": "python", | ||
| "command": "uvx", | ||
| "args": ["mcp-science", "netket"], | ||
| "description": "Install from GitHub using uvx", | ||
| "recommended": true | ||
| } | ||
| }, | ||
| "examples": [ | ||
| { | ||
| "title": "SSH Model Analysis", | ||
| "description": "Analyze the SSH model for a chain with specific parameters", | ||
| "prompt": "Analyze the SSH model for a 24-site chain with t1=1.0 and t2=0.2" | ||
| }, | ||
| { | ||
| "title": "Heisenberg Model", | ||
| "description": "Study the Heisenberg model on a 2D lattice", | ||
| "prompt": "Create and analyze a 2D Heisenberg model on a 4x4 square lattice" | ||
| }, | ||
| { | ||
| "title": "Energy Spectrum Calculation", | ||
| "description": "Calculate and visualize energy spectra of quantum systems", | ||
| "prompt": "Calculate the energy spectrum of a 1D Hubbard model with 10 sites" | ||
| }, | ||
| { | ||
| "title": "Ground State Properties", | ||
| "description": "Analyze ground state properties of quantum systems", | ||
| "prompt": "Find the ground state properties of a spin-1/2 Heisenberg chain with 12 sites" | ||
| } | ||
| ], | ||
| "is_official": true | ||
| } |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,66 @@ | ||
| { | ||
| "name": "timer", | ||
| "display_name": "Timer MCP Server", | ||
| "description": "A minimal MCP server that functions as a countdown timer with progress notifications. Demonstrates streaming incremental updates for long-running tasks.", | ||
| "repository": { | ||
| "type": "git", | ||
| "url": "https://github.com/pathintegral-institute/mcp.science" | ||
| }, | ||
| "homepage": "https://github.com/pathintegral-institute/mcp.science/tree/main/servers/timer", | ||
| "author": { | ||
| "name": "Path Integral Institute" | ||
| }, | ||
| "license": "MIT", | ||
| "categories": ["Dev Tools"], | ||
| "tags": [ | ||
| "timer", | ||
| "streaming" | ||
| ], | ||
| "tools": [ | ||
| { | ||
| "name": "wait", | ||
| "description": "Wait for a specified time with progress notifications", | ||
| "inputSchema": { | ||
| "type": "object", | ||
| "properties": { | ||
| "time_to_wait": { | ||
| "type": "integer", | ||
| "description": "Total duration to wait in milliseconds" | ||
| }, | ||
| "notif_interval": { | ||
| "type": "integer", | ||
| "description": "Interval between progress updates in milliseconds" | ||
| } | ||
| }, | ||
| "required": ["time_to_wait", "notif_interval"] | ||
| } | ||
| } | ||
| ], | ||
| "installations": { | ||
| "python": { | ||
| "type": "python", | ||
| "command": "uvx", | ||
| "args": ["mcp-science", "timer"], | ||
| "description": "Install from GitHub using uvx", | ||
| "recommended": true | ||
| } | ||
| }, | ||
| "examples": [ | ||
| { | ||
| "title": "Basic countdown timer", | ||
| "description": "Wait for 5 seconds with updates every second", | ||
| "prompt": "Wait for 5 seconds and notify me every second" | ||
| }, | ||
| { | ||
| "title": "Long timer with frequent updates", | ||
| "description": "Demonstrate streaming updates with a longer wait", | ||
| "prompt": "Set a 30-second timer with updates every 2 seconds" | ||
| }, | ||
| { | ||
| "title": "Short timer for testing", | ||
| "description": "Quick test of timer functionality", | ||
| "prompt": "Wait for 2 seconds with updates every 500 milliseconds" | ||
| } | ||
| ], | ||
| "is_official": true | ||
| } |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,88 @@ | ||
| { | ||
| "name": "tinydb", | ||
| "display_name": "TinyDB MCP Server", | ||
| "description": "MCP server that uses TinyDB to store and retrieve data. Provides a simple NoSQL database interface with operations for creating tables, inserting documents, querying, updating, and deleting records.", | ||
| "repository": { | ||
| "type": "git", | ||
| "url": "https://github.com/pathintegral-institute/mcp.science" | ||
| }, | ||
| "homepage": "https://github.com/pathintegral-institute/mcp.science/tree/main/servers/tinydb", | ||
| "author": { | ||
| "name": "Path Integral Institute" | ||
| }, | ||
| "license": "MIT", | ||
| "categories": ["Databases"], | ||
| "tags": [ | ||
| "database", | ||
| "nosql" | ||
| ], | ||
| "arguments": { | ||
| "DB_FILE": { | ||
| "description": "Path to the TinyDB database file (optional, defaults to database.json)", | ||
| "required": false, | ||
| "example": "/path/to/custom_database.json" | ||
| } | ||
| }, | ||
| "tools": [ | ||
| { | ||
| "name": "create_table", | ||
| "description": "Create a new table in the database" | ||
| }, | ||
| { | ||
| "name": "insert_document", | ||
| "description": "Insert a document into a table" | ||
| }, | ||
| { | ||
| "name": "query_documents", | ||
| "description": "Query documents from a table with optional filters" | ||
| }, | ||
| { | ||
| "name": "update_documents", | ||
| "description": "Update documents in a table" | ||
| }, | ||
| { | ||
| "name": "delete_documents", | ||
| "description": "Delete documents from a table" | ||
| }, | ||
| { | ||
| "name": "purge_table", | ||
| "description": "Remove all documents from a table" | ||
| }, | ||
| { | ||
| "name": "drop_table", | ||
| "description": "Drop a table from the database" | ||
| } | ||
| ], | ||
| "installations": { | ||
| "python": { | ||
| "type": "python", | ||
| "command": "uvx", | ||
| "args": ["mcp-science", "tinydb"], | ||
| "description": "Install from GitHub using uvx", | ||
| "recommended": true | ||
| } | ||
| }, | ||
| "examples": [ | ||
| { | ||
| "title": "Create and populate a users table", | ||
| "description": "Create a users table and insert user records", | ||
| "prompt": "Create a users table and insert a user with name 'John Doe', email '[email protected]', and age 30" | ||
| }, | ||
| { | ||
| "title": "Query database records", | ||
| "description": "Search for records matching specific criteria", | ||
| "prompt": "Find all users with age greater than 25" | ||
| }, | ||
| { | ||
| "title": "Update existing records", | ||
| "description": "Update user information in the database", | ||
| "prompt": "Update the email address for user John Doe to '[email protected]'" | ||
| }, | ||
| { | ||
| "title": "Database maintenance", | ||
| "description": "Clean up and manage database tables", | ||
| "prompt": "Remove all users older than 65 and then purge the inactive_users table" | ||
| } | ||
| ], | ||
| "is_official": true | ||
| } |
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💡 Verification agent
🧩 Analysis chain
Add Materials Project API key argument and env forwarding
PR description states MP API integration, but no argument/env is defined. This likely breaks authenticated flows.
Proposed update adding MP_API_KEY and forwarding it:
"tags": [ "quantum", "computation" ], - "arguments": {}, + "arguments": { + "MP_API_KEY": { + "description": "Materials Project API key (https://materialsproject.org)", + "required": true, + "secret": true, + "example": "your-mp-api-key" + } + }, "installations": { - "uvx": { + "uvx": { "type": "uvx", "command": "uvx", "args": [ "--from", "git+https://github.com/pathintegral-institute/mcp.science.git#subdirectory=servers/gpaw-computation", "gpaw-computation" ], - "env": {}, + "env": { + "MP_API_KEY": "${MP_API_KEY}" + }, "description": "Install from GitHub using uvx", "recommended": true } },Run this to discover the canonical env var used across manifests for Materials Project:
🏁 Script executed:
Length of output: 192
🏁 Script executed:
Length of output: 1666
Add MP_API_KEY argument and forward env to Python installer
To enable authenticated Materials Project API calls (per PR description), the
gpaw-computation.jsonmanifest needs to declare theMP_API_KEYargument and inject it into the installer’s environment. This follows the pattern inmaterials-project.json, which usesMP_API_KEYas the canonical variable name.Targets:
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