医疗智能体 EIHEALTH-查询自由能微扰作业详情:响应示例

时间：2024-05-10 16:07:30

响应示例

状态码： 200

{
  "basic_info" : {
    "id" : "baabcb56-5bb6-11eb-8a0d-fa163e3ddba1",
    "name" : "demo-job",
    "labels" : [ "labelA", "labelB" ],
    "status" : "FINISHED",
    "type" : "OPTIMIZATION",
    "create_time" : "2021-01-30T02:34:36Z",
    "finish_time" : "2021-01-30T02:53:26Z",
    "failed_message" : "null",
    "user_name" : "demo-user-name",
    "output_dir" : "job-analysis/job-name",
    "expect_charge_num" : 1,
    "real_charge_num" : 1
  },
  "receptor" : {
    "source" : "PRIVATE",
    "url" : "project:/dir/file"
  },
  "ligands" : [ {
    "name" : "GLY:A:514",
    "smiles" : "C1CCCCC1",
    "index" : 0,
    "file" : {
      "source" : "RAW",
      "format" : "PDB",
      "data" : "MODEL1.xxxxxxx.END"
    }
  }, {
    "name" : "UNK1",
    "smiles" : "c1ccccc1",
    "index" : 0,
    "file" : {
      "source" : "PRIVATE",
      "url" : "project:/dir/file"
    }
  } ],
  "graph" : {
    "center_id" : "GLY:A:514",
    "pairs" : [ {
      "ligand_ids" : [ "GLY:A:514", "DrugBank:UNK1" ]
    } ]
  },
  "params" : {
    "num_pre_equilibrium_steps" : 50000,
    "num_equilibrium_steps" : 500000,
    "timestep_size" : 0.002,
    "num_lambda" : 20
  },
  "job_result" : {
    "total_count" : 10,
    "failed_count" : 1
  }
}

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