AtomisticSkills/server.json at main · learningmatter-mit/AtomisticSkills · GitHub

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{
    "$schema": "https://static.modelcontextprotocol.io/schemas/2025-12-11/server.schema.json",
    "name": "learningmatter-mit/atomisticskills",
    "description": "AtomisticSkills MCP Server: AI tools for atomistic simulations, DFT, MLIPs, and generative models.",
    "websiteUrl": "https://github.com/learningmatter-mit/AtomisticSkills",
    "repository": {
        "url": "https://github.com/learningmatter-mit/AtomisticSkills",
        "source": "github"
    },
    "version": "1.0.0",
    "packages": [
        {
            "registryType": "oci",
            "identifier": "ghcr.io/learningmatter-mit/atomisticskills:1.0.0",
            "transport": {
                "type": "stdio"
            },
            "packageArguments": [],
            "environmentVariables": [
                {
                    "name": "MP_API_KEY",
                    "description": "API Key for Materials Project access. Required by base-server for querying bulk structures. Get a key at https://materialsproject.org/api",
                    "isRequired": false,
                    "isSecret": true
                },
                {
                    "name": "OPENALEX_EMAIL",
                    "description": "Email address to access the OpenAlex Polite Pool. Register your email for free at https://docs.openalex.org/how-to-use-the-api/rate-limits-and-authentication#the-polite-pool",
                    "isRequired": false,
                    "isSecret": false
                },
                {
                    "name": "ELSEVIER_API_KEY",
                    "description": "API Key for accessing Elsevier ScienceDirect API.",
                    "isRequired": false,
                    "isSecret": true
                },
                {
                    "name": "ELSEVIER_INST_TOKEN",
                    "description": "Optional institutional token for Elsevier access.",
                    "isRequired": false,
                    "isSecret": true
                },
                {
                    "name": "SPRINGER_API_KEY",
                    "description": "API Key for accessing Springer Nature Meta API v2.",
                    "isRequired": false,
                    "isSecret": true
                },
                {
                    "name": "UNPAYWALL_EMAIL",
                    "description": "Email required for accessing the Unpaywall API to retrieve open access preprints and papers.",
                    "isRequired": false,
                    "isSecret": false
                },
                {
                    "name": "ATOMATE2_REMOTE_PROJECT",
                    "description": "Default project name for remote job submission (auto-detected if blank). Required by atomate2-server.",
                    "isRequired": false,
                    "isSecret": false
                },
                {
                    "name": "VASP_CMD",
                    "description": "Command to run VASP. Required by atomate2-server if running locally.",
                    "isRequired": false,
                    "isSecret": false
                },
                {
                    "name": "PMG_VASP_PSP_DIR",
                    "description": "Path to VASP POTCAR directory. Required by pymatgen and atomate2-server.",
                    "isRequired": false,
                    "isSecret": false
                }
            ]
        }
    ]
}