text: import os
  import torch
  
  # checks
  print('working directory is:')
  print(os.getcwd())
  print('is CUDA available?')
  print(torch.cuda.is_available())
  
  # imports
  from chemprop.args import TrainArgs
  from chemprop.train.pdts import pdts
  
  # instantiate args class and load from dict
  args = TrainArgs()
  args.from_dict({
      'dataset_type': 'regression',
      'data_path': '/home/willlamb/chempropBayes/data/qm9.csv'
  })
  
  
  
  ##################### ARGS #####################
  
  # architecture
  args.hidden_size = 500
  args.depth = 5
  args.ffn_num_layers = 3
  args.activation = 'ReLU'
  args.ffn_hidden_size = args.hidden_size
  args.features_path = None
  args.features_generator = None
  args.atom_messages = False
  args.undirected = False
  args.bias = False
  
  # data
  args.max_data_size = 100000
  args.data_seeds = [0,1,2,3,4]
  args.split_type = 'random'
  args.split_sizes = (0.05, 0.95)
  
  # metric
  args.metric = 'mae'
  
  # run seeds
  args.pytorch_seeds = [0,1,2,3,4]
  
  
  ################################################
  
  # names and directories
  args.results_dir = '/home/willlamb/results_pdts/dropR_thom'
  args.save_dir = '/home/willlamb/checkpoints_pdts/dropR_thom'
  args.checkpoint_path = '/home/willlamb/checkpoints_pdts/dropR_thom'
  args.wandb_proj = 'lanterne_dropR'
  args.wandb_name = 'dropR_thom'
  args.thompson = True
  
  ### dropR ###
  args.samples = 50
  
  args.pdts = True
  args.pdts_batches = 30
  
  args.epochs_init_map = 500
  args.epochs = 200
  
  args.lr = 1e-4
  
  args.init_log_noise = -2
  args.weight_decay = 0.01
  
  args.dropout_mpnn = 0
  args.dropout_ffn = 0.1
  args.test_dropout = True  
  
  
  ################################################
  
  
  # run
  results = pdts(args, model_idx = 0)
  