pcba_config.yaml

task_name: pcba
use_cuda: True
seed: 28994
dataset_name: ogbg-molpcba
eval_metrics: null
task_type: null
num_class: null
pool_type: average
train_eps: True
norm_type: layer_norm

model_type: GNNModel
embed_dim: 128
num_layers: 5
hidden_size: 256
save_dir: ./checkpoints


# finetune model config
init_checkpoint: null
init_pretraining_params: null

# data config
data_dir: ./dataset/
symmetry: True
batch_size: 256
buf_size: 1000
metrics: True
shuffle: True
num_workers: 12
output_dir: ./outputs/

# trainging config
epoch: 50
learning_rate: 0.005
lr_scheduler: linear_warmup_decay
weight_decay: 0.01
warmup_proportion: 0.1
save_steps: 10000
validation_steps: 1000
use_dynamic_loss_scaling: True
init_loss_scaling: 102400
metric: simple_accuracy
incr_every_n_steps: 100
decr_every_n_nan_or_inf: 2
incr_ratio: 2.0
decr_ratio: 0.8
log_dir: ./logs
eval_step: 1000
train_log_step: 20

# log config
skip_steps: 10
verbose: False