API Documentation
mdxplain - A Python toolkit for molecular dynamics trajectory analysis.
This package provides tools for analyzing molecular dynamics trajectories with focus on feature extraction, dimensionality reduction, and machine learning applications.
- Project Structure
- Analysis
- Clustering
- Comparison
- Data Selector
- Decomposition
- Feature
- Feature Importance
- Feature Selection
- Feature Selection Entities
- Feature Selection Helper
- Common Denominator Helper
- Feature Selector Consensus Parse Helper
- Feature Selector Numeric Parse Helper
- Feature Selector Parse Core Helper
- Feature Selector ResID Parse Helper
- Feature Selector ResName Parse Helper
- Feature Selector SeqID Parse Helper
- Reduction Index Mapper
- Post Selection Reduction Helper
- Feature Selection Manager
- Pipeline
- Plots
- Plot Types
- Plot Helper
- Base Feature Importance Plot Data Preparer
- Clustering Data Helper
- Color Mapping Helper
- Color Resolution Helper
- Comparison Data Extractor
- Contact to Distances Converter
- Discrete Feature Helper
- Feature Metadata Helper
- Grid Layout Helper
- SVG Export Helper
- Tag Helper
- Title Legend Helper
- Vertical Marker Helper
- Validation Helper
- Plot Manager
- Plot Services
- Structure Visualization
- Trajectory
- Utilities