bohr-agent-sdk 0.1.102__tar.gz → 0.1.103__tar.gz

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Files changed (90) hide show
  1. bohr_agent_sdk-0.1.103/PKG-INFO +292 -0
  2. bohr_agent_sdk-0.1.103/README.md +234 -0
  3. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/pyproject.toml +1 -1
  4. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/setup.py +1 -1
  5. bohr_agent_sdk-0.1.103/src/bohr_agent_sdk.egg-info/PKG-INFO +292 -0
  6. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/bohr_agent_sdk.egg-info/requires.txt +1 -1
  7. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/cli.py +1 -1
  8. bohr_agent_sdk-0.1.102/PKG-INFO +0 -228
  9. bohr_agent_sdk-0.1.102/README.md +0 -170
  10. bohr_agent_sdk-0.1.102/src/bohr_agent_sdk.egg-info/PKG-INFO +0 -228
  11. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/setup.cfg +0 -0
  12. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/bohr_agent_sdk.egg-info/SOURCES.txt +0 -0
  13. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/bohr_agent_sdk.egg-info/dependency_links.txt +0 -0
  14. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/bohr_agent_sdk.egg-info/entry_points.txt +0 -0
  15. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/bohr_agent_sdk.egg-info/top_level.txt +0 -0
  16. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/__init__.py +0 -0
  17. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/__init__.py +0 -0
  18. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/adk/__init__.py +0 -0
  19. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/adk/client/__init__.py +0 -0
  20. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/adk/client/calculation_mcp_tool.py +0 -0
  21. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/adk/storage_artifact_service.py +0 -0
  22. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/adk/utils.py +0 -0
  23. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/camel/__init__.py +0 -0
  24. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/camel/client/__init__.py +0 -0
  25. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/adapter/camel/client/calculation_mcp_client.py +0 -0
  26. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/__init__.py +0 -0
  27. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/__init__.py +0 -0
  28. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/calculation/simple.py.template +0 -0
  29. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/device/tescan_device.py.template +0 -0
  30. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/main.py.template +0 -0
  31. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/__init__.py +0 -0
  32. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/__init__.py +0 -0
  33. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/config.py +0 -0
  34. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/constants.py +0 -0
  35. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/debug.py +0 -0
  36. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/files.py +0 -0
  37. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/files_upload.py +0 -0
  38. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/files_user.py +0 -0
  39. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/messages.py +0 -0
  40. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/projects.py +0 -0
  41. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/sessions.py +0 -0
  42. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/utils.py +0 -0
  43. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/api/websocket.py +0 -0
  44. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/config/__init__.py +0 -0
  45. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/config/agent_config.py +0 -0
  46. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/index.html +0 -0
  47. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/package.json +0 -0
  48. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/tsconfig.json +0 -0
  49. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/tsconfig.node.json +0 -0
  50. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/ui-static/assets/index-DdAmKhul.js +0 -0
  51. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/ui-static/assets/index-DfN2raU9.css +0 -0
  52. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/ui-static/index.html +0 -0
  53. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/frontend/vite.config.ts +0 -0
  54. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/scripts/build_ui.py +0 -0
  55. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/__init__.py +0 -0
  56. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/app.py +0 -0
  57. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/connection.py +0 -0
  58. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/file_watcher.py +0 -0
  59. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/middleware.py +0 -0
  60. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/models.py +0 -0
  61. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/session_manager.py +0 -0
  62. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/user_files.py +0 -0
  63. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/server/utils.py +0 -0
  64. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/test_download.py +0 -0
  65. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/ui_utils.py +0 -0
  66. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cli/templates/ui/websocket-server.py +0 -0
  67. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cloud/__init__.py +0 -0
  68. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cloud/main.py +0 -0
  69. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cloud/mcp.py +0 -0
  70. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/cloud/mqtt.py +0 -0
  71. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/device/__init__.py +0 -0
  72. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/device/device/__init__.py +0 -0
  73. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/device/device/device.py +0 -0
  74. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/device/device/types.py +0 -0
  75. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/device/mqtt_device_twin.py +0 -0
  76. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/__init__.py +0 -0
  77. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/calculation_mcp_server.py +0 -0
  78. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/executor/__init__.py +0 -0
  79. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/executor/base_executor.py +0 -0
  80. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/executor/dispatcher_executor.py +0 -0
  81. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/executor/local_executor.py +0 -0
  82. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/preprocessor.py +0 -0
  83. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/storage/__init__.py +0 -0
  84. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/storage/base_storage.py +0 -0
  85. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/storage/bohrium_storage.py +0 -0
  86. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/storage/http_storage.py +0 -0
  87. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/storage/local_storage.py +0 -0
  88. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/storage/oss_storage.py +0 -0
  89. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/src/dp/agent/server/utils.py +0 -0
  90. {bohr_agent_sdk-0.1.102 → bohr_agent_sdk-0.1.103}/tests/test_cli.py +0 -0
@@ -0,0 +1,292 @@
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+ Metadata-Version: 2.4
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+ Name: bohr-agent-sdk
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+ Version: 0.1.103
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+ Summary: SDK for scientific agents
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+ Home-page: https://github.com/dptech-corp/bohr-agent-sdk/
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+ Author: DP Technology
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+ Maintainer-email: liupeng <liupeng@dp.tech>, zjgemi <liuxzj@dp.tech>
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+ License: MIT
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+ Project-URL: Homepage, https://github.com/dptech-corp/bohr-agent-sdk
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+ Project-URL: repository, https://github.com/dptech-corp/bohr-agent-sdk
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+ Project-URL: Bug Reports, https://github.com/dptech-corp/bohr-agent-sdk/issues
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+ Keywords: agent SDK,AI for science
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+ Classifier: License :: OSI Approved :: MIT License
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+ Classifier: Programming Language :: Python :: 3
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+ Classifier: Programming Language :: Python :: 3.10
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+ Classifier: Programming Language :: Python :: 3.11
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+ Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.13
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+ Requires-Python: >=3.10
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+ Description-Content-Type: text/markdown
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+ Requires-Dist: click>=8.0.0
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+ Requires-Dist: mcp
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+ Requires-Dist: python-dotenv>=1.0.0
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+ Requires-Dist: typing-extensions>=4.8.0
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+ Requires-Dist: dpdispatcher>=0.6.8
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+ Requires-Dist: lbg>=1.2.29
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+ Requires-Dist: jsonpickle>=3.0.3
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+ Requires-Dist: psutil>=5.9.6
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+ Requires-Dist: paho-mqtt>=2.1.0
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+ Requires-Dist: redis>=6.2.0
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+ Requires-Dist: twine>=6.1.0
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+ Requires-Dist: build>=1.2.2.post1
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+ Requires-Dist: watchdog>=6.0.0
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+ Requires-Dist: fastapi>=0.116.0
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+ Requires-Dist: bohrium-open-sdk
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+ Provides-Extra: device
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+ Requires-Dist: pywinauto-recorder>=0.1.0; extra == "device"
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+ Provides-Extra: cloud
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+ Requires-Dist: paho-mqtt>=1.6.1; extra == "cloud"
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+ Requires-Dist: redis>=5.0.1; extra == "cloud"
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+ Requires-Dist: aiohttp>=3.9.1; extra == "cloud"
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+ Provides-Extra: dev
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+ Requires-Dist: pytest>=7.4.0; extra == "dev"
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+ Requires-Dist: pytest-asyncio>=0.23.0; extra == "dev"
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+ Requires-Dist: pytest-cov>=4.1.0; extra == "dev"
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+ Requires-Dist: black>=23.11.0; extra == "dev"
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+ Requires-Dist: isort>=5.12.0; extra == "dev"
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+ Requires-Dist: mypy>=1.7.0; extra == "dev"
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+ Requires-Dist: pylint>=3.0.0; extra == "dev"
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+ Requires-Dist: google-adk; extra == "dev"
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+ Provides-Extra: docs
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+ Requires-Dist: sphinx>=7.2.0; extra == "docs"
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+ Requires-Dist: sphinx-rtd-theme>=1.3.0; extra == "docs"
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+ Provides-Extra: all
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+ Requires-Dist: bohr-agent-sdk[bohrium,cloud,dev,device,dispatcher,docs]; extra == "all"
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+ Dynamic: home-page
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+ Dynamic: requires-python
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+
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+ # Bohrium Science Agent SDK
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+
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+ [English](README.md) | [简体中文](README_CN.md)
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+
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+ **Transform Scientific Software into AI Assistants — 3 Steps to Intelligent Transformation**
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+
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+ ## 📖 Introduction
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+
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+ The Bohrium platform introduces the **bohr-agent-sdk Scientific Agent Development Kit**, enabling AI systems to truly execute professional scientific tasks and helping developers quickly build their own specialized research agents. Through a three-step process — **Invoking MCP Tools, Orchestrating Agent Workflows, and Deploying Services** — any scientific software can be rapidly transformed into an AI assistant.
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+
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+ ## ✨ Core Features
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+
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+ ### 🎯 Intelligent Task Management: Simplified Development, Standardized Output
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+ With a decorator pattern, just a few annotations can quickly transform scientific computing programs into MCP standard services. Built-in application templates turn scattered research code into standardized, reusable intelligent components.
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+
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+ ### 🔧 Multi-Backend Framework Support
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+ Supports mainstream Agent open frameworks including Google ADK, Langraph, and Camel, providing flexible choices for developers familiar with different technology stacks.
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+
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+ ### ☁️ Flexible Deployment: Local Development, Cloud Production
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+ Dual-mode architecture supports seamless transition between development and production. Local environments enable rapid iteration and feature validation, while Bohrium's cloud GPU clusters handle production-grade computing tasks. The SDK automatically manages the complete workflow of task scheduling, status monitoring, and result collection, with built-in file transfer mechanisms for handling large-scale data uploads and downloads. Developers focus on core algorithm implementation while infrastructure management is fully automated.
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+
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+ ### 🖼️ Visual Interactive Interface: Professional Presentation, Intuitive Operation
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+ Based on the modern React framework, deploy fully-featured web applications with one click. Built-in 3D molecular visualization engine supports multiple structure formats and rendering modes for interactive molecular structure display. Real-time data synchronization ensures instant computing status updates, while multi-session management supports parallel task processing. Integrated with enterprise-grade features including file management, project switching, and permission control. Transform command-line tools into professional visual applications, significantly enhancing user experience and tool usability.
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+
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+ ## 🖼️ Interface Showcase
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+
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+ ### Scientific Computing Master Console
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+ <div align="center">
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+
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+ ![SCIMaster](image/SCIMaster.PNG)
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+
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+ *Powerful scientific computing task management and monitoring platform*
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+
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+ </div>
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+
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+ ### Visual Interactive Interface
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+ <div align="center">
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+
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+ ![UI](image/UI.png)
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+
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+ *Modern web application interface providing intuitive user experience*
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+
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+ </div>
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+
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+ ## 🚀 Quick Start
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+
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+ ### Installation
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+
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+ ```bash
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+ pip install bohr-agent-sdk -i https://pypi.org/simple --upgrade
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+ ```
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+
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+ ### Build Your Research Agent in 3 Steps
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+
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+ #### Step 1: Get Project Templates
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+
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+ ```bash
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+ # Get calculation project template
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+ dp-agent fetch scaffolding --type=calculation
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+
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+ # Get device control project template
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+ dp-agent fetch scaffolding --type=device
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+
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+ # Get configuration file
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+ dp-agent fetch config
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+ ```
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+
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+ #### Step 2: Develop Your Agent
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+
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+ **Lab Mode Development Example**
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+
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+ ```python
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+ from typing import Dict, TypedDict
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+ from dp.agent.device.device import Device, action, BaseParams, SuccessResult
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+
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+ class TakePictureParams(BaseParams):
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+ """Picture taking parameters"""
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+ horizontal_width: str # Image horizontal width
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+
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+ class PictureData(TypedDict):
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+ """Picture data structure"""
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+ image_id: str
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+
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+ class PictureResult(SuccessResult):
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+ """Picture taking result"""
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+ data: PictureData
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+
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+ class MyDevice(Device):
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+ """Custom device class"""
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+ device_name = "my_device"
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+
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+ @action("take_picture")
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+ def take_picture(self, params: TakePictureParams) -> PictureResult:
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+ """
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+ Execute picture taking action
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+
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+ Through the @action decorator, automatically register this method as an MCP standard service
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+ """
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+ hw = params.get("horizontal_width", "default")
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+ # Execute actual device control logic
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+ return PictureResult(
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+ message=f"Picture taken with {self.device_name}",
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+ data={"image_id": "image_123"}
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+ )
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+ ```
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+
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+ **Cloud Mode Development Example**
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+
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+ ```python
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+ """
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+ MCP protocol-based cloud device control example
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+ """
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+ import signal
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+ import sys
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+ from dp.agent.cloud import mcp, get_mqtt_cloud_instance
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+ from dp.agent.device.device import TescanDevice, register_mcp_tools
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+
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+ def signal_handler(sig, frame):
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+ """Graceful shutdown handling"""
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+ print("Shutting down...")
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+ get_mqtt_cloud_instance().stop()
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+ sys.exit(0)
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+
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+ def main():
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+ """Start cloud services"""
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+ print("Starting Tescan Device Twin Cloud Services...")
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+
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+ # Register signal handler
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+ signal.signal(signal.SIGINT, signal_handler)
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+
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+ # Create device instance
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+ device = TescanDevice(mcp, device)
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+
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+ # Automatically register device tools to MCP server
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+ # register_mcp_tools implements automatic registration through Python introspection
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+ register_mcp_tools(device)
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+
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+ # Start MCP server
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+ print("Starting MCP server...")
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+ mcp.run(transport="sse")
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+
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+ if __name__ == "__main__":
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+ main()
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+ ```
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+
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+ #### Step 3: Run and Deploy
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+
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+ ```bash
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+ # Local lab environment
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+ dp-agent run tool device
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+
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+ # Cloud computing environment
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+ dp-agent run tool cloud
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+
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+ # Scientific calculation mode
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+ dp-agent run tool calculation
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+
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+ # Start agent (with Web UI)
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+ dp-agent run agent --config
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+
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+ # Debug mode
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+ dp-agent run debug
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+ ```
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+
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+ ## 🏗️ Project Structure
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+
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+ After running `dp-agent fetch scaffolding`, you'll get a standardized project structure:
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+
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+ ```
228
+ your-project/
229
+ ├── lab/ # Lab mode
230
+ │ ├── __init__.py
231
+ │ └── tescan_device.py # Device control implementation
232
+ ├── cloud/ # Cloud mode
233
+ │ ├── __init__.py
234
+ │ └── mcp_server.py # MCP service implementation
235
+ ├── calculation/ # Calculation mode
236
+ │ └── __init__.py
237
+ ├── .env # Environment configuration
238
+ └── main.py # Main program entry
239
+ ```
240
+
241
+ ## ⚙️ Configuration
242
+
243
+ Configure necessary environment variables in the `.env` file:
244
+
245
+ ```bash
246
+ # MQTT connection configuration
247
+ MQTT_INSTANCE_ID=your_instance_id
248
+ MQTT_ENDPOINT=your_endpoint
249
+ MQTT_DEVICE_ID=your_device_id
250
+ MQTT_GROUP_ID=your_group_id
251
+ MQTT_AK=your_access_key
252
+ MQTT_SK=your_secret_key
253
+
254
+ # Computing resource configuration
255
+ BOHRIUM_USERNAME=your_username
256
+ BOHRIUM_PASSWORD=your_password
257
+ ```
258
+
259
+ Note: The `dp-agent fetch config` command automatically downloads configuration files and replaces dynamic variables (such as MQTT_DEVICE_ID). For security reasons, this feature is only available in internal network environments.
260
+
261
+ ## 🎯 Application Scenarios
262
+
263
+ - **Materials Science Computing**: Molecular dynamics simulation, first-principles calculations
264
+ - **Bioinformatics Analysis**: Gene sequence analysis, protein structure prediction
265
+ - **Laboratory Equipment Control**: Intelligent control of research equipment such as electron microscopes and X-ray diffractometers
266
+ - **Data Processing Workflows**: Automated data cleaning, analysis, and visualization
267
+ - **Machine Learning Training**: Model training, hyperparameter optimization, result evaluation
268
+
269
+ ## 🔧 Advanced Features
270
+
271
+ ### File Management
272
+
273
+ ```bash
274
+ # Upload files to cloud
275
+ dp-agent artifact upload <path>
276
+
277
+ # Download cloud files
278
+ dp-agent artifact download <artifact_id>
279
+ ```
280
+
281
+ ### Task Monitoring
282
+
283
+ The SDK provides real-time task status monitoring, supporting:
284
+ - Task queue management
285
+ - Computing resource scheduling
286
+ - Automatic result collection
287
+ - Exception handling and retry mechanisms
288
+
289
+ ## 📚 Documentation & Support
290
+
291
+ - 📖 [Detailed Documentation](https://dptechnology.feishu.cn/wiki/ZSj9wbLJEiwdNek0Iu7cKsFanuW)
292
+
@@ -0,0 +1,234 @@
1
+ # Bohrium Science Agent SDK
2
+
3
+ [English](README.md) | [简体中文](README_CN.md)
4
+
5
+ **Transform Scientific Software into AI Assistants — 3 Steps to Intelligent Transformation**
6
+
7
+ ## 📖 Introduction
8
+
9
+ The Bohrium platform introduces the **bohr-agent-sdk Scientific Agent Development Kit**, enabling AI systems to truly execute professional scientific tasks and helping developers quickly build their own specialized research agents. Through a three-step process — **Invoking MCP Tools, Orchestrating Agent Workflows, and Deploying Services** — any scientific software can be rapidly transformed into an AI assistant.
10
+
11
+ ## ✨ Core Features
12
+
13
+ ### 🎯 Intelligent Task Management: Simplified Development, Standardized Output
14
+ With a decorator pattern, just a few annotations can quickly transform scientific computing programs into MCP standard services. Built-in application templates turn scattered research code into standardized, reusable intelligent components.
15
+
16
+ ### 🔧 Multi-Backend Framework Support
17
+ Supports mainstream Agent open frameworks including Google ADK, Langraph, and Camel, providing flexible choices for developers familiar with different technology stacks.
18
+
19
+ ### ☁️ Flexible Deployment: Local Development, Cloud Production
20
+ Dual-mode architecture supports seamless transition between development and production. Local environments enable rapid iteration and feature validation, while Bohrium's cloud GPU clusters handle production-grade computing tasks. The SDK automatically manages the complete workflow of task scheduling, status monitoring, and result collection, with built-in file transfer mechanisms for handling large-scale data uploads and downloads. Developers focus on core algorithm implementation while infrastructure management is fully automated.
21
+
22
+ ### 🖼️ Visual Interactive Interface: Professional Presentation, Intuitive Operation
23
+ Based on the modern React framework, deploy fully-featured web applications with one click. Built-in 3D molecular visualization engine supports multiple structure formats and rendering modes for interactive molecular structure display. Real-time data synchronization ensures instant computing status updates, while multi-session management supports parallel task processing. Integrated with enterprise-grade features including file management, project switching, and permission control. Transform command-line tools into professional visual applications, significantly enhancing user experience and tool usability.
24
+
25
+ ## 🖼️ Interface Showcase
26
+
27
+ ### Scientific Computing Master Console
28
+ <div align="center">
29
+
30
+ ![SCIMaster](image/SCIMaster.PNG)
31
+
32
+ *Powerful scientific computing task management and monitoring platform*
33
+
34
+ </div>
35
+
36
+ ### Visual Interactive Interface
37
+ <div align="center">
38
+
39
+ ![UI](image/UI.png)
40
+
41
+ *Modern web application interface providing intuitive user experience*
42
+
43
+ </div>
44
+
45
+ ## 🚀 Quick Start
46
+
47
+ ### Installation
48
+
49
+ ```bash
50
+ pip install bohr-agent-sdk -i https://pypi.org/simple --upgrade
51
+ ```
52
+
53
+ ### Build Your Research Agent in 3 Steps
54
+
55
+ #### Step 1: Get Project Templates
56
+
57
+ ```bash
58
+ # Get calculation project template
59
+ dp-agent fetch scaffolding --type=calculation
60
+
61
+ # Get device control project template
62
+ dp-agent fetch scaffolding --type=device
63
+
64
+ # Get configuration file
65
+ dp-agent fetch config
66
+ ```
67
+
68
+ #### Step 2: Develop Your Agent
69
+
70
+ **Lab Mode Development Example**
71
+
72
+ ```python
73
+ from typing import Dict, TypedDict
74
+ from dp.agent.device.device import Device, action, BaseParams, SuccessResult
75
+
76
+ class TakePictureParams(BaseParams):
77
+ """Picture taking parameters"""
78
+ horizontal_width: str # Image horizontal width
79
+
80
+ class PictureData(TypedDict):
81
+ """Picture data structure"""
82
+ image_id: str
83
+
84
+ class PictureResult(SuccessResult):
85
+ """Picture taking result"""
86
+ data: PictureData
87
+
88
+ class MyDevice(Device):
89
+ """Custom device class"""
90
+ device_name = "my_device"
91
+
92
+ @action("take_picture")
93
+ def take_picture(self, params: TakePictureParams) -> PictureResult:
94
+ """
95
+ Execute picture taking action
96
+
97
+ Through the @action decorator, automatically register this method as an MCP standard service
98
+ """
99
+ hw = params.get("horizontal_width", "default")
100
+ # Execute actual device control logic
101
+ return PictureResult(
102
+ message=f"Picture taken with {self.device_name}",
103
+ data={"image_id": "image_123"}
104
+ )
105
+ ```
106
+
107
+ **Cloud Mode Development Example**
108
+
109
+ ```python
110
+ """
111
+ MCP protocol-based cloud device control example
112
+ """
113
+ import signal
114
+ import sys
115
+ from dp.agent.cloud import mcp, get_mqtt_cloud_instance
116
+ from dp.agent.device.device import TescanDevice, register_mcp_tools
117
+
118
+ def signal_handler(sig, frame):
119
+ """Graceful shutdown handling"""
120
+ print("Shutting down...")
121
+ get_mqtt_cloud_instance().stop()
122
+ sys.exit(0)
123
+
124
+ def main():
125
+ """Start cloud services"""
126
+ print("Starting Tescan Device Twin Cloud Services...")
127
+
128
+ # Register signal handler
129
+ signal.signal(signal.SIGINT, signal_handler)
130
+
131
+ # Create device instance
132
+ device = TescanDevice(mcp, device)
133
+
134
+ # Automatically register device tools to MCP server
135
+ # register_mcp_tools implements automatic registration through Python introspection
136
+ register_mcp_tools(device)
137
+
138
+ # Start MCP server
139
+ print("Starting MCP server...")
140
+ mcp.run(transport="sse")
141
+
142
+ if __name__ == "__main__":
143
+ main()
144
+ ```
145
+
146
+ #### Step 3: Run and Deploy
147
+
148
+ ```bash
149
+ # Local lab environment
150
+ dp-agent run tool device
151
+
152
+ # Cloud computing environment
153
+ dp-agent run tool cloud
154
+
155
+ # Scientific calculation mode
156
+ dp-agent run tool calculation
157
+
158
+ # Start agent (with Web UI)
159
+ dp-agent run agent --config
160
+
161
+ # Debug mode
162
+ dp-agent run debug
163
+ ```
164
+
165
+ ## 🏗️ Project Structure
166
+
167
+ After running `dp-agent fetch scaffolding`, you'll get a standardized project structure:
168
+
169
+ ```
170
+ your-project/
171
+ ├── lab/ # Lab mode
172
+ │ ├── __init__.py
173
+ │ └── tescan_device.py # Device control implementation
174
+ ├── cloud/ # Cloud mode
175
+ │ ├── __init__.py
176
+ │ └── mcp_server.py # MCP service implementation
177
+ ├── calculation/ # Calculation mode
178
+ │ └── __init__.py
179
+ ├── .env # Environment configuration
180
+ └── main.py # Main program entry
181
+ ```
182
+
183
+ ## ⚙️ Configuration
184
+
185
+ Configure necessary environment variables in the `.env` file:
186
+
187
+ ```bash
188
+ # MQTT connection configuration
189
+ MQTT_INSTANCE_ID=your_instance_id
190
+ MQTT_ENDPOINT=your_endpoint
191
+ MQTT_DEVICE_ID=your_device_id
192
+ MQTT_GROUP_ID=your_group_id
193
+ MQTT_AK=your_access_key
194
+ MQTT_SK=your_secret_key
195
+
196
+ # Computing resource configuration
197
+ BOHRIUM_USERNAME=your_username
198
+ BOHRIUM_PASSWORD=your_password
199
+ ```
200
+
201
+ Note: The `dp-agent fetch config` command automatically downloads configuration files and replaces dynamic variables (such as MQTT_DEVICE_ID). For security reasons, this feature is only available in internal network environments.
202
+
203
+ ## 🎯 Application Scenarios
204
+
205
+ - **Materials Science Computing**: Molecular dynamics simulation, first-principles calculations
206
+ - **Bioinformatics Analysis**: Gene sequence analysis, protein structure prediction
207
+ - **Laboratory Equipment Control**: Intelligent control of research equipment such as electron microscopes and X-ray diffractometers
208
+ - **Data Processing Workflows**: Automated data cleaning, analysis, and visualization
209
+ - **Machine Learning Training**: Model training, hyperparameter optimization, result evaluation
210
+
211
+ ## 🔧 Advanced Features
212
+
213
+ ### File Management
214
+
215
+ ```bash
216
+ # Upload files to cloud
217
+ dp-agent artifact upload <path>
218
+
219
+ # Download cloud files
220
+ dp-agent artifact download <artifact_id>
221
+ ```
222
+
223
+ ### Task Monitoring
224
+
225
+ The SDK provides real-time task status monitoring, supporting:
226
+ - Task queue management
227
+ - Computing resource scheduling
228
+ - Automatic result collection
229
+ - Exception handling and retry mechanisms
230
+
231
+ ## 📚 Documentation & Support
232
+
233
+ - 📖 [Detailed Documentation](https://dptechnology.feishu.cn/wiki/ZSj9wbLJEiwdNek0Iu7cKsFanuW)
234
+
@@ -35,7 +35,7 @@ dependencies = [
35
35
  "build>=1.2.2.post1",
36
36
  "watchdog>=6.0.0",
37
37
  "fastapi>=0.116.0",
38
- "bohrium-open-sdk==0.1.5"
38
+ "bohrium-open-sdk"
39
39
  ]
40
40
 
41
41
  # 可选依赖
@@ -9,7 +9,7 @@ with open("README.md", "r", encoding="utf-8") as fh:
9
9
 
10
10
  setup(
11
11
  name="bohr-agent-sdk",
12
- version="0.1.102",
12
+ version="0.1.103",
13
13
  description="SDK for science agent and mcp tools",
14
14
  long_description=long_description,
15
15
  long_description_content_type="text/markdown",