data_list = 'Enter_your_data_list' : enter your data list for relaxation (['name1', 'name2',...] # initial structure)
checkpoint = 'Enter_your_checkpoint_for_relaxation.pt'

data_list = 'data.pkl' : enter your dataset

with open(data_list, 'rb') as f:
    Data = pickle.load(f)
    
print('create LMDB database')
print('create data set')

db = lmdb.open(
    "data/test_set.lmdb",
    #map_size=10e1,
    subdir=False,
    meminit=False,
    map_async=True,
    map_size = (10**9) # 10 gb
)

checkpoint_path = 'enter_your_checkpoint' # checkpoitn file name
pretrained_trainer.load_checkpoint(checkpoint_path=checkpoint_path)
predictions = pretrained_trainer.predict(pretrained_trainer.test_loader, results_file="predict_result", disable_tqdm=False)