file renamed

README.md

@@ -35,7 +35,7 @@ Additionally, the Space needs to implement inference in the `predict()` function
 - `checkpoints/` - the saved model that is used in `predict.py` is here.
 
 - `src/` - Core model & preprocessing logic:
-    - `data.py` - SMILES preprocessing pipeline
+    - `preprocess.py` - SMILES preprocessing pipeline
     - `evaluation.py` - compute ROC AUC metric from a csv
     - `train_model.py` - trains a single model
 
@@ -98,4 +98,4 @@ The output will be a nested dictionary in the format:
 
 - Adapting `predict.py`, `train.py`, `config/`, and `checkpoints/` is required for leaderboard submission.
 
-- Preprocessing (here inside `src/data.py`) must be done inside `predict.py` not just `train.py`.
+- Preprocessing (here inside `src/preprocess.py`) must be done inside `predict.py` not just `train.py`.

predict.py

@@ -2,7 +2,7 @@ import torch
 import csv
 import subprocess
 
-from data import create_clean_smiles
+from preprocess import create_clean_smiles
 
 def predict(smiles_list):
     """

train.py

@@ -1,7 +1,7 @@
 import os
 from dotenv import load_dotenv
 
-from src.data import clean_smiles_in_csv, get_combined_dataset_csv
+from preprocess import clean_smiles_in_csv, get_combined_dataset_csv
 from src.train_model import train_model