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Deploy polymer property prediction model with LFS
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import pandas as pd
from sklearn.model_selection import train_test_split
file = pd.read_csv('./Datasets/Tg/Tg.csv')
train, test = train_test_split(file, test_size=0.2, random_state=42)
# save as txt files
train.to_csv('./NIPS_GNN/dataset/regression/Tg/data_train.txt', sep=" ", index=False, header=False)
test.to_csv('./NIPS_GNN/dataset/regression/Tg/data_test.txt', sep=" ", index=False, header=False)
file = pd.read_csv('./Datasets/FFV/FFV.csv')
train, test = train_test_split(file, test_size=0.2, random_state=42)
# save as txt files
train.to_csv('./NIPS_GNN/dataset/regression/FFV/data_train.txt', sep=" ", index=False, header=False)
test.to_csv('./NIPS_GNN/dataset/regression/FFV/data_test.txt', sep=" ", index=False, header=False)