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
Generator
s?
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
Read the Docs
v: stable
Versions
latest
stable
Downloads
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.