Tutorials

Contents:

• Deciding on Clustering Method
  • Floes used in this Tutorial
  • Decision Tree
  • Size Constraints
  • Application-Based Clustering
  • Small Scale Clustering
• Clustering Methods Overview
  • DBSCAN Clustering
  • K-Medoids Clustering
  • Hierarchical Clustering
  • Large Scale Clustering
  • Hitlist Clustering
  • Diverse Subset Floes
  • Large Scale Clustering
• Diverse Subset
  • Floes used in this Tutorial
  • Required Inputs
  • Outputs
  • Troubleshooting
• Creating and Applying Molecule Filters
  • Floes used in this Tutorial
  • Create a Custom Filter
  • Filter Customization
  • Parameter Settings
  • Functional Group Parameters
  • Create Custom Filter Floe Output
  • Run a Custom Filter
  • Troubleshooting
• Hitlist Clustering
  • Floes used in this Tutorial
  • Required Inputs
  • Floe Report
  • Troubleshooting
• Large Scale Clustering
  • Floes used in this Tutorial
  • Input Size
  • Algorithm: Directed Sphere Exclusion
  • Step 1: Generate N new cluster heads
  • Step 2: Assign cluster members to existing cluster heads
  • Sphere Exclusion Radius
  • Troubleshooting
  • Floe Runtime is Too High
  • Floe Cost is Too High
  • Memory Limit Exceeded
  • Advanced Parameter Descriptions
  • References