Welcome to SWAN!

Contents:

• Screening Workflows And Nanomaterials
  • 🛠 Installation
• Tutorial to Generate Statistical Models
  • Simulation input
  • Training a model
  • Predicting new data
• Available models
  • Fully Connected Neural Network
  • Message Passing Neural Network
• Training and validation
• API Data Representation
  • Data Base Class
  • Graph Data Base Class
  • Fingerprints Data
  • Torch Geometric Data
  • DGL Data
• API Statistical Models
  • Deep Feedforward Network
  • Message Passing Graph Neural Network
  • Equivariant Neural Networks

Indices and tables

• Index
• Module Index
• Search Page