Update MD17 example

1713175349 · May 10, 2021 · 821b1ae · 821b1ae
1 parent 06fecc1
commit 821b1ae
Show file tree

Hide file tree

Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/examples/train_GN_MD17.sh b/examples/train_GN_MD17.sh
@@ -4,5 +4,5 @@ dev=1 # list CUDA devices to use
 logdir="logs" # log dir for storing checkpoints and metrics
 
 mkdir -p $logdir
-CUDA_VISIBLE_DEVICES=$dev python scripts/train.py --conf examples/graph-network.yaml --dataset QM9 --dataset-root ~/data/qm9 --dataset-arg energy_U0 --log-dir $logdir --redirect true &
+CUDA_VISIBLE_DEVICES=$dev python scripts/train.py --conf examples/graph-network.yaml --dataset MD17 --dataset-root ~/data/md17 --dataset-arg aspirin --standardize true --log-dir $logdir --redirect true &
 echo "Starting training... (saving logs at $logdir/log)"
diff --git a/examples/train_GN_QM9.sh b/examples/train_GN_QM9.sh
@@ -4,5 +4,5 @@ dev=1 # list CUDA devices to use
 logdir="logs" # log dir for storing checkpoints and metrics
 
 mkdir -p $logdir
-CUDA_VISIBLE_DEVICES=$dev python scripts/train.py --conf examples/graph-network.yaml --dataset MD17 --dataset-root ~/data/md17 --dataset-arg aspirin --log-dir $logdir --redirect true &
+CUDA_VISIBLE_DEVICES=$dev python scripts/train.py --conf examples/graph-network.yaml --dataset QM9 --dataset-root ~/data/qm9 --dataset-arg energy_U0 --log-dir $logdir --redirect true &
 echo "Starting training... (saving logs at $logdir/log)"