Hi All I am trying to run simulation on QM8 molecular dataset but I get this error below. Other dataset such as ESOL and QM9 work without any problem but not sure why I am getting this error for QM8. The error is shown below:
[13:39:25] Depickling from a version number (13.0)that is higher than our version (10.1).
This probably won't work.
[13:39:25]
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Pre-condition Violation
Number of atom mismatch
Violation occurred on line 601 in file /usr/local/miniconda/conda-bld/rdkit_1578668905594/work/Code/GraphMol/ROMol.cpp
Failed Expression: conf->getNumAtoms() == this->getNumAtoms()
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Traceback (most recent call last):
File "/Users/main.py", line 165, in <module>
main(args)
File "/Users/main.py", line 33, in main
data.load(args.mol_data_dir)
File "/Users/molecular_dataset.py", line 13, in load
self.__dict__.update(pickle.load(f))
RuntimeError: Pre-condition Violation
Number of atom mismatch
Violation occurred on line 601 in file Code/GraphMol/ROMol.cpp
Failed Expression: conf->getNumAtoms() == this->getNumAtoms()
RDKIT: 2019.09.3
BOOST: 1_70