Molecule Property Prediction Benchmark

molecule_property_prediction/.DS_Store

...property_prediction/__pycache__/benchmark.cpython-312.pyc

...__/molecule_property_prediction_benchmark.cpython-312.pyc

molecule_property_prediction/benchmark.py

molecule_property_prediction/benchmark_data/.DS_Store

...LOAD-ivje8RSB4fNqE46PAmGLVckoMW-3R9EsDvr8J7_jIJY=.tsv.swp

...cule_property_prediction/benchmark_data/ChEMBL/ChEMBL.tsv

...ction/benchmark_data/NUlrich/Dataset_and_Predictions.xlsx

molecule_property_prediction/benchmark_data/OPV/.DS_Store

...rty_prediction/benchmark_data/OPV/1712697052-mol_test.csv

...prediction/benchmark_data/OPV/1712697052-mol_test_uff.csv

...ty_prediction/benchmark_data/OPV/1712697052-mol_train.csv

...ty_prediction/benchmark_data/OPV/1712697052-mol_valid.csv

...perty_prediction/benchmark_data/OPV/1712697052-opv_db.csv

..._prediction/benchmark_data/OPV/1712697052-smiles_test.csv

...prediction/benchmark_data/OPV/1712697052-smiles_train.csv

...prediction/benchmark_data/OPV/1712697052-smiles_valid.csv

molecule_property_prediction/benchmark_data/QM7/qm7.mat

molecule_property_prediction/benchmark_data/QM9/atomref.txt

...ty_prediction/benchmark_data/QM9/dsC7O2H10nsd.xyz.tar.bz2