weighted sampling in evaluation code - Githubissues

skinniderlab / CLM

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weighted sampling in evaluation code #161

Open skinnider opened 3 months ago

skinnider commented 3 months ago

Throughout the evaluation code, generated molecules should be sampled from the collect_tabulated_molecules output according to sampling frequencies (size column). Currently this is being done (I believe) in:

write_nn_tc
train_discriminator

Double-check:

calculate_outcomes / calculate_outcomes_freq
calculate_outcome_distrs