diff --git a/ogb_examples/graphproppred/mol/hiv_config.yaml b/ogb_examples/graphproppred/mol/hiv_config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a6da88618dce0cc5bf2a8dd09234d004b9be7df9 --- /dev/null +++ b/ogb_examples/graphproppred/mol/hiv_config.yaml @@ -0,0 +1,54 @@ +task_name: hiv.0423 +use_cuda: True +seed: 1667 +dataset_name: ogbg-molhiv +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: 32 +buf_size: 1000 +metrics: True +shuffle: True +num_workers: 12 +output_dir: ./outputs/ + +# trainging config +epoch: 40 +learning_rate: 0.0001 +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: 400 +train_log_step: 20 + +# log config +skip_steps: 10 +verbose: False diff --git a/ogb_examples/graphproppred/mol/pcba_config.yaml b/ogb_examples/graphproppred/mol/pcba_config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2f4f84e4adb952fd10374d8f6f2f911058018f5c --- /dev/null +++ b/ogb_examples/graphproppred/mol/pcba_config.yaml @@ -0,0 +1,54 @@ +task_name: pcba.0423 +use_cuda: True +seed: 1667 +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: 40 +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