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PepPA

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peptide-design
agents
multi-objective-optimization
therapeutic-peptides
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PepPA
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{
  "commands": [
    {
      "name": "generate_moppit",
      "argv": [
        "/opt/moppit/bin/python",
        "-m",
        "peppa.native_worker",
        "--mode",
        "moppit",
        "--root",
        "/models/moppit",
        "--work",
        "/results/moppit"
      ],
      "cwd": "/models/moppit",
      "cost": {
        "tool_calls": 1,
        "gpu_minutes": 120
      },
      "description": "Generate a canonical linear peptide batch with pinned moPPIt.",
      "timeout": 7200,
      "argument_schema": {
        "type": "object",
        "properties": {
          "length": {
            "type": "integer",
            "enum": [
              12,
              18,
              24
            ]
          },
          "count": {
            "type": "integer",
            "minimum": 1,
            "maximum": 96
          },
          "objectives": {
            "type": "array",
            "items": {
              "type": "string"
            }
          },
          "weights": {
            "type": "array",
            "items": {
              "type": "number",
              "minimum": 0
            }
          },
          "steps": {
            "type": "integer",
            "minimum": 1,
            "maximum": 1000
          },
          "native_motif_indices": {
            "type": "string"
          }
        },
        "required": [
          "length",
          "count"
        ],
        "additionalProperties": false
      }
    }
  ]
}