from data.geom_qm9.load_qm9 import process_qm9, sample_qm9, load_qm9, redump_qm9_from_tj_dataset
from data.geom_drugs.load_drugs import process_drugs, sample_drugs, load_drugs, redump_drugs_from_tj_dataset


'''
scp data/geom_qm9/geom_qm9.pickle 1500011335@115.27.161.31:yangshuwen/GeometryEncoding/data/geom_qm9
scp data/geom_drugs/geom_drugs.pickle 1500011335@115.27.161.31:yangshuwen/GeometryEncoding/data/geom_drugs
'''

if __name__ == '__main__':
    redump_qm9_from_tj_dataset(small=True)
    redump_qm9_from_tj_dataset()
    # redump_drugs_from_tj_dataset(small=True)
    # redump_drugs_from_tj_dataset()

    # mol_list_mol = process_qm9()
    # sample_qm9(mol_list_mol)
    # tr, vl, ts = load_qm9()
    # print(len(tr))
    # print(len(vl))
    # print(len(ts))
    # sample_qm9(mol_list_mol, small=True)
    # tr, vl, ts = load_qm9(small=True)
    # print(len(tr))
    # print(len(vl))
    # print(len(ts))
    # 132123 / 133258

    # mol_list_mol = process_drugs()
    # sample_drugs(mol_list_mol)
    # tr, vl, ts = load_drugs()
    # print(len(tr))
    # print(len(vl))
    # print(len(ts))
    # sample_drugs(mol_list_mol, small=True)
    # tr, vl, ts = load_drugs(small=True)
    # print(len(tr))
    # print(len(vl))
    # print(len(ts))
    # 99637 / 291724
