Introduction

install prerequisite packages

pip3 install -r requirements.txt

generate dataset

download polymer dataset

download the dataset from bohrium .

generate tfrecord

mkdir dataset
python3 create_dataset.py --input_csv <path/to/mol_train.csv> --output_tfrecord dataset/trainset.tfrecord
python3 create_dataset.py --input_csv <path/to/mol_test.csv> --output_tfrecord dataset/testset.tfrecord

train

python3 train.py --dataset dataset --ckpt <path/to/place/ckpt>