diff --git a/ogb_examples/graphproppred/mol/README.md b/ogb_examples/graphproppred/mol/README.md index 69b708d11afa35a34af401cfd64abe9b9e961f47..b42cf070b5893d1bcd70e8fe4a8c3b28d7444f9e 100644 --- a/ogb_examples/graphproppred/mol/README.md +++ b/ogb_examples/graphproppred/mol/README.md @@ -24,3 +24,9 @@ python -u main.py --config hiv_config.yaml export CUDA_VISIBLE_DEVICES=2 python -u main.py --config pcba_config.yaml ``` + +### Experiment results + +| model | hiv (rocauc)| pcba (prcauc)| +|-------|-------------|--------------| +| GIN |0.7719 (0.0079) | 0.2232 (0.0018) | diff --git a/ogb_examples/graphproppred/mol/hiv_config.yaml b/ogb_examples/graphproppred/mol/hiv_config.yaml index a6da88618dce0cc5bf2a8dd09234d004b9be7df9..bae2bfae0fd92389a0c487a1bb8da61be0d50ca4 100644 --- a/ogb_examples/graphproppred/mol/hiv_config.yaml +++ b/ogb_examples/graphproppred/mol/hiv_config.yaml @@ -1,6 +1,6 @@ -task_name: hiv.0423 +task_name: hiv use_cuda: True -seed: 1667 +seed: 15391 dataset_name: ogbg-molhiv eval_metrics: null task_type: null @@ -31,7 +31,7 @@ num_workers: 12 output_dir: ./outputs/ # trainging config -epoch: 40 +epoch: 50 learning_rate: 0.0001 lr_scheduler: linear_warmup_decay weight_decay: 0.01 diff --git a/ogb_examples/graphproppred/mol/pcba_config.yaml b/ogb_examples/graphproppred/mol/pcba_config.yaml index 2f4f84e4adb952fd10374d8f6f2f911058018f5c..6502699942c3d70f19d1763e16c90e804160e7fb 100644 --- a/ogb_examples/graphproppred/mol/pcba_config.yaml +++ b/ogb_examples/graphproppred/mol/pcba_config.yaml @@ -1,6 +1,6 @@ -task_name: pcba.0423 +task_name: pcba use_cuda: True -seed: 1667 +seed: 28994 dataset_name: ogbg-molpcba eval_metrics: null task_type: null @@ -31,7 +31,7 @@ num_workers: 12 output_dir: ./outputs/ # trainging config -epoch: 40 +epoch: 50 learning_rate: 0.005 lr_scheduler: linear_warmup_decay weight_decay: 0.01