Open vineetbansal opened 5 months ago
inner_prep_nn_tc_PubChem.py and write_outcome_distr.py are doing mostly the same thing, so they can perhaps be collapsed into a single command.
inner_prep_nn_tc_PubChem.py
write_outcome_distr.py
calculate_outcome_distrs.py and calculate_outcomes.py are also calculating properties of each of the input smiles, so these 2 can be merged as well.
calculate_outcome_distrs.py
calculate_outcomes.py
inner_prep_nn_tc_PubChem.pyandwrite_outcome_distr.pyare doing mostly the same thing, so they can perhaps be collapsed into a single command.calculate_outcome_distrs.pyandcalculate_outcomes.pyare also calculating properties of each of the input smiles, so these 2 can be merged as well.