Update README.md

README.md

@@ -52,11 +52,11 @@ output # 'CN1CCC=C(CO)C1'
 ### Training Procedure 
 
 <!-- This relates heavily to the Technical Specifications. Content here should link to that section when it is relevant to the training procedure. -->
-We used the Open Reaction Database (ORD) dataset for model training.
-The command used for training is the following. For more information, please refer to the paper and GitHub repository.
+We used the [Open Reaction Database (ORD) dataset](https://drive.google.com/file/d/1fa2MyLdN1vcA7Rysk8kLQENE92YejS9B/view?usp=drive_link) for model training. In addition, we used [USPTO_MIT dataset](https://yzhang.hpc.nyu.edu/T5Chem/index.html)'s test split to prevent data leakage.
+The command used for training is the following. For more information about data preprocessing and training, please refer to the paper and GitHub repository.
 
 ```python
-python train_without_duplicates.py \
+python train.py \
     --model='t5' \
     --epochs=100 \
     --lr=1e-3 \
@@ -67,12 +67,12 @@ python train_without_duplicates.py \
     --evaluation_strategy='epoch' \
     --save_strategy='epoch' \
     --logging_strategy='epoch' \
-    --train_data_path='/home/acf15718oa/ReactionT5_neword/data/all_ord_reaction_uniq_with_attr20240506_v3_train.csv' \
-    --valid_data_path='/home/acf15718oa/ReactionT5_neword/data/all_ord_reaction_uniq_with_attr20240506_v3_valid.csv' \
-    --test_data_path='/home/acf15718oa/ReactionT5_neword/data/all_ord_reaction_uniq_with_attr20240506_v3_test.csv' \
-    --USPTO_test_data_path='/home/acf15718oa/ReactionT5_neword/data/USPTO_MIT/MIT_separated/test.csv' \
+    --train_data_path='../data/preprocessed_ord_train.csv' \
+    --valid_data_path='../data/preprocessed_ord_valid.csv' \
+    --test_data_path='../data/preprocessed_ord_test.csv' \
+    --USPTO_test_data_path='../data/USPTO_MIT/MIT_separated/test.csv' \
     --disable_tqdm \
-    --pretrained_model_name_or_path='sagawa/ZINC-t5'
+    --pretrained_model_name_or_path='sagawa/CompoundT5'
 ```
 
 ### Results