AdaptiveMD
stable
  • installation
  • Examples Notebooks
    • Example 1 - Setup
    • Example 2 - Run
    • Example 3 - Adaptive
    • Example 4 - Tasks
    • Example 5 - Generators
      • Custom Generator objects
      • A simple generator
    • Example 6 - Multiple Output Types
  • Projects
  • Resources
  • Files
  • Bundles
  • Actions
  • Task
  • Engines
  • Generators
  • Scheduler Functions
  • Workers
  • The folder structure
  • Why do we need a trajectory object?
  • Execution Plans
  • LogEntry Functions
  • AdaptiveMD (adaptivemd)
AdaptiveMD
  • Docs »
  • Examples Notebooks »
  • Example 5 - Generators
  • Edit on GitHub

Example 5 - Generators¶

  • Custom Generator objects
    • Basic knowledge
      • How to execute something
    • What are Generators?
    • The MDTrajFeaturizer generator
      • What input does our generator always need?
      • The task building
      • The actual script
      • Better storing of results
      • Working with Trajectory files and get their properties
      • Problem with saving your generator to the DB
  • A simple generator
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© Copyright 2017, Jan-Hendrik Prinz, Frank Noé. Revision 186ffa09.

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