PENSA

Introduction

  • What is PENSA?
  • Installation
  • Examples and Tutorials
  • Contribute

Tutorial

  • Introduction
  • Preprocessing
  • Featurization
  • Ensemble Comparison
  • Dimensionality Reduction and Clustering
  • Tracing Information Flow

API Documentation

  • pensa.preprocessing
  • pensa.features
  • pensa.comparison
  • pensa.dimensionality
  • pensa.clusters
  • pensa.statesinfo
PENSA
  • Python Module Index

Python Module Index

p
 
p
- pensa
    pensa.clusters
    pensa.clusters.clustering
    pensa.clusters.trajectory
    pensa.clusters.wss
    pensa.comparison
    pensa.comparison.metrics
    pensa.comparison.projections
    pensa.comparison.relative_entropy
    pensa.comparison.statespecific
    pensa.comparison.statistics
    pensa.comparison.uncertainty_analysis
    pensa.comparison.visualization
    pensa.dimensionality
    pensa.dimensionality.pca
    pensa.dimensionality.tica
    pensa.dimensionality.visualization
    pensa.features
    pensa.features.atom_features
    pensa.features.csv_features
    pensa.features.hbond_features
    pensa.features.mda_combined
    pensa.features.mda_distances
    pensa.features.mda_torsions
    pensa.features.processing
    pensa.features.water_features
    pensa.preprocessing
    pensa.preprocessing.coordinates
    pensa.preprocessing.density
    pensa.preprocessing.download
    pensa.preprocessing.selection
    pensa.statesinfo
    pensa.statesinfo.discrete_states

© Copyright 2020-2025, Martin Vögele, Neil Thomson, Sang Truong, Jasper McAvity.

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