import os import pandas as pd from datasets import load_dataset def main(): data_dirs = [ "./BindingDB_filtered", "./CATS", "./HIF2A", "./HSP90", "./LeakyPDB", "./MCL1", "./Mpro", "./SYK", ] for data_dir in data_dirs: print(data_dir) filepath = os.path.join(data_dir, "data.csv") df = pd.read_csv(filepath) # Add Index column, make sure it's the left most column if "Index" not in df.columns: df["Index"] = df.index df = df[["Index"] + [col for col in df.columns if col != "Index"]] df.to_csv(filepath, index=False) dataset = load_dataset("csv", data_files=filepath, delimiter=",") print(dataset) print("Saving to disk...") dataset.save_to_disk(data_dir) if __name__ == "__main__": main()