Gym/resources_servers/rdkit_chemistry/configs/rdkit_chemistry.yaml at main · hackIDLE/Gym · GitHub

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rdkit_chemistry:
  resources_servers:
    rdkit_chemistry:
      entrypoint: app.py
      domain: knowledge
      verified: false
      description: >-
        Molecular chemistry question answering: calculate properties of SMILES.
        Includes a mix of tool-use (python + rdkit) and no-tool-use questions.
      value: Improve molecular reasoning and SMILES parsing.
      sandbox_venv_path: ${oc.env:SANDBOX_VENV_PATH,''}
      sandbox_proxy_port: ${oc.env:NEMO_SKILLS_SANDBOX_PORT,6001}
      sandbox_proxy_max_concurrency: ${oc.env:RDKIT_SANDBOX_PROXY_MAX_CONCURRENCY,128}
      sandbox_proxy_request_timeout_s: ${oc.env:RDKIT_SANDBOX_PROXY_REQUEST_TIMEOUT_S,120}
      sandbox_proxy_connect_retries: ${oc.env:RDKIT_SANDBOX_PROXY_CONNECT_RETRIES,3}
      sandbox_proxy_retry_backoff_s: ${oc.env:RDKIT_SANDBOX_PROXY_RETRY_BACKOFF_S,0.25}
      sandbox_startup_probe_enabled: ${oc.env:RDKIT_SANDBOX_STARTUP_PROBE_ENABLED,true}
      sandbox_startup_probe_timeout_s: ${oc.env:RDKIT_SANDBOX_STARTUP_PROBE_TIMEOUT_S,15}
      sandbox_extra_packages:
        - rdkit
        - flask
        - wcwidth
      sandbox_discovery_path: ${oc.env:SANDBOX_DISCOVERY_PATH,''}
      require_local_ns_tools_colocation: true
      ns_tools_server_name: rdkit_chemistry_ns_tools

rdkit_chemistry_ns_tools:
  resources_servers:
    ns_tools:
      entrypoint: app.py
      default_verifier: rdkit_chemistry
      verifiers:
        rdkit_chemistry:
          type: resources_servers
          name: rdkit_chemistry
      nemo_skills_tools:
        - nemo_skills.mcp.servers.python_tool.PythonTool
      nemo_skills_tool_overrides:
        PythonTool:
          exec_timeout_s: 10
      sandbox_host: ${oc.env:NEMO_SKILLS_SANDBOX_HOST,127.0.0.1}
      sandbox_port: ${oc.env:NEMO_SKILLS_SANDBOX_PORT,6001}
      disable_session_restore: true
      domain: agent
      verified: false
      description: ns_tools wrapper for rdkit_chemistry with Python tool-use

rdkit_chemistry_agent:
  responses_api_agents:
    simple_agent:
      entrypoint: app.py
      max_steps: 10
      resources_server:
        type: resources_servers
        name: rdkit_chemistry_ns_tools
      model_server:
        type: responses_api_models
        name: policy_model
      datasets:
        - name: train
          type: train
          jsonl_fpath: resources_servers/rdkit_chemistry/data/train.jsonl
          license: "TBD"
        - name: example
          type: example
          jsonl_fpath: resources_servers/rdkit_chemistry/data/example.jsonl