Closed vineetbansal closed 6 months ago
By the time we get here:
https://github.com/vineetbansal/CLM/blob/a9c40d28fdf587869801b7294c183d8131f3c0a7/src/clm/commands/calculate_outcomes.py#L132
Molecular properties have already been calculated, so its trivial to look at any one of them and check for Nones, and calculate the no. of valid smiles we have.
None
Fixed in master branch.
master
By the time we get here:
https://github.com/vineetbansal/CLM/blob/a9c40d28fdf587869801b7294c183d8131f3c0a7/src/clm/commands/calculate_outcomes.py#L132
Molecular properties have already been calculated, so its trivial to look at any one of them and check for
None
s, and calculate the no. of valid smiles we have.