config.yaml

hydra:
  job:
    chdir: True
  run:
    dir: ../outputs/${general.name}
general:
    name: 'cc_high'
    wandb: 'online'                # online | offline | disabled
    gpus: 1
    resume: null
    test_only: null
    sample_every_val: 4
    check_val_every_n_epochs: 10
    samples_to_generate: 100      
    samples_to_save: 3
    chains_to_save: 1
    log_every_steps: 50
    number_chain_steps: 8
    final_model_samples_to_generate: 100
    final_model_samples_to_save: 30
    final_model_chains_to_save: 20
    condition: ' '
    setting: 'train_scratch'
    ckpt_path: null
model:
    type: 'discrete'
    transition: 'marginal'                  
    model: 'graph_tf'
    diffusion_steps: 500
    diffusion_noise_schedule: 'cosine'
    n_layers: 5
    extra_features: 'all'
    hidden_mlp_dims: {'X': 256, 'E': 128, 'y': 128}
    hidden_dims: {'dx': 256, 'de': 64, 'dy': 64, 'n_head': 8, 'dim_ffX': 256, 'dim_ffE': 128, 'dim_ffy': 128}
    lambda_train: [5, 0]
train:
    n_epochs: 300
    batch_size: 8
    accumulate_grad_batches: 1
    lr: 0.0002
    clip_grad: null
    save_model: True
    num_workers: 0
    ema_decay: 0
    weight_decay: 1e-12
    seed: 0
    progress_bar: false
    optimizer: adamw
dataset:
    datadir: 'graph/'
    name: cc_high
    remove_h: null
    sample: 'seed'