医疗智能体 EIHealth-创建靶点口袋分子设计作业:请求示例

时间：2025-02-12 14:58:15

请求示例

创建靶点口袋发现作业，作业名称为demo-job，受体文件为project:/dir/file，小分子片段文件为project:/dir/file，自定义属性预测id为xxxxxx，分子量约束为200-600，预期的最大输出为5000个。

https://{endpoint}/v1/{project_id}/eihealth-projects/{eihealth_project_id}/drug-jobs/pocket-mol-design{  "basic_info" : {    "name" : "demo-job",    "labels" : [ "labelA" ]  },  "receptor" : {    "file" : {      "source" : "PRIVATE",      "url" : "project:/dir/file"    },    "bounding_box" : {      "center" : [ 0, 0, 0 ],      "size" : [ 10, 10, 10 ],      "padding" : 10    },    "remove_water" : false,    "remove_ion" : false  },  "ligands" : [ {    "source" : "PRIVATE",    "url" : "project:/dir/file"  } ],  "model_ids" : [ "xxxxxx" ],  "molecular_weight" : [ 200, 600 ]}

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