muammar/ml4chem

Issues

• Add ModelMerger class

  #10 opened 5 years ago by muammar
  2

• Add Kernel Ridge Regression

  #7 opened 6 years ago by muammar
  0

• Transfer Learning

  #19 opened 5 years ago by muammar
  0

• Add Gaussian Process Model

  #18 opened 5 years ago by muammar
  1

• Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network

  #15 opened 6 years ago by muammar
  1

• Implement Weighted ACSFs

  #8 opened 6 years ago by muammar
  1

• Add a CJSON reader

  #11 opened 6 years ago by muammar
  1

• Methods to save() and load() models

  #6 opened 6 years ago by muammar
  1

• Create some rule to initialize models

  #5 opened 6 years ago by muammar
  2

• Make Pytorch train a Neural Network for mono and multi element training sets

  #3 opened 6 years ago by muammar
  2

• Create a custom loss function to train energies

  #4 opened 6 years ago by muammar
  1

• Pure Python gaussian local chemical envirnoment

  #1 opened 6 years ago by muammar
  0

• Make the Data class universal

  #2 opened 6 years ago by muammar
  0