model:
  descriptor:
    type: se_a
    sel:
    - 46
    - 92
    rcut_smth: 5.8
    rcut: 6.0
    neuron:
    - 25
    - 50
    - 100
    axis_neuron: 16
    resnet_dt: false
    seed: 1
  fitting_net:
    neuron:
    - 240
    - 240
    - 240
    resnet_dt: true
    seed: 1
learning_rate:
  type: exp
  decay_steps: 5000
  decay_rate: 0.95
  start_lr: 0.001
loss:
  start_pref_e: 0.02
  limit_pref_e: 1
  start_pref_f: 1000
  limit_pref_f: 1
  start_pref_v: 0
  limit_pref_v: 0
training:
  systems: ['../data/']
  set_prefix: set
  stop_batch: 1000000
  batch_size:
  - 1
  seed: 1
  disp_file: lcurve.out
  disp_freq: 100
  numb_test: 10
  save_freq: 1000
  save_ckpt: model.ckpt
  disp_training: true
  time_training: true
  profiling: true
  profiling_file: timeline.json
