Merge pull request #53 from Liwb5/develop

update README and config for ogb mol graph classification

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) |

ogb_examples/graphproppred/mol/hiv_config.yaml

-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

ogb_examples/graphproppred/mol/pcba_config.yaml

-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