How To Guides

• How to Build an Optimal Property-Predicting Machine Learning Model by Tweaking Neural Network Architecture
  • Fully Connected Feed-Forward Neural Network (F_nn)
• How to Use LIME Explainer to Understand and Analyze Machine Learning Predictions
  • Library Details of the Floe
• How to Use Built Machine Learning Models for Property Prediction and Verification of Unseen Molecules
  • Library Details of the Floe
• How to Build Optimal Property-Predicting Graph Convolutional Neural Network Machine Learning Model by Tweaking Neural Network Architecture
  • Key Features
  • Preparing Your Data for GCNN Training
  • Connecting Data for GCNN Builder
  • Initial Setup and Model Automation
  • Model Training, Evaluation, and Improvement