input.yaml

In this section, you can find the features in input.yaml that are used in SIMPLE-NN.

• Generate_features
• Preprocess
• Train_model
• Random_seed
• Params
• Data
  • Path and format
  • Data extraction
• Preprocessing
  • Train/validation
  • Scaling parameters
  • PCA parameters
  • Atomic weights
• Neural network
  • Running mode
  • Network
  • Optimization
  • Loss function
  • Logging & saving
  • Continue
  • Parallelism