API

• MOLPIPx package
  • Load PIPs
  • Anisotropic PIPs and Models
  • Core PIPs
  • Generate PIPs
  • Deep PIP Kernels
  • PIP Neural Networks
  • Anisotropic Model Training
  • Linear Model Training
  • Utilities
  • Gradient Utilities
  • Training Utilities
• MSA Files
  • Molecule Systems