Dear RDKit community,
I need to screen for substructure relationships between two sets of
structures (1 000 X 500 000): I thought I should build two lists of mol
objects from SMILES, but I keep having a memory error when the second list
reaches 300 000 mol. All my RAM (12G) gets consumed along with all my
virtual memory.
Do I really have to compromise on speed and make mol object on the flight
from two lists of SMILES? Is there another memory efficient way to store
mol object?
Best,
Alexis
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