Change checkpoint dir to /data/.../

run_molformer.py

@@ -67,7 +67,7 @@ def fine_tuning(fold_idx,
     tokenized_val_ds = val_ds.map(tokenize_input, batched=True)
     tokenized_test_ds = test_ds.map(tokenize_input, batched=True)
 
-    training_args = TrainingArguments(output_dir="molformer_cv",
+    training_args = TrainingArguments(output_dir=os.environ["CHECKPOINT_DIR"],
                                       evaluation_strategy="epoch",
                                       logging_strategy="epoch",
                                       do_train=True,

setup.sh

@@ -32,6 +32,7 @@ if [ ! -f ${CONDA} ]; then
 fi
 
 ENV_NAME=cache5_clm
+export CHECKPOINT_DIR=$DATA_DIR/checkpoints/
 export WANDB_PROJECT=cache5_molformer_finetuning
 export WANDB_DIR=$DATA_DIR/wandb/