diff --git a/src/clm/commands/write_structural_prior_CV.py b/src/clm/commands/write_structural_prior_CV.py index e5c1b855..62d7e7e6 100644 --- a/src/clm/commands/write_structural_prior_CV.py +++ b/src/clm/commands/write_structural_prior_CV.py @@ -261,8 +261,6 @@ def write_structural_prior_CV( ) ] - gen = gen.drop(invalid_idx) - n_candidates = len(candidates) n_invalid = len(invalid_idx) @@ -277,6 +275,8 @@ def write_structural_prior_CV( f"Examples: {examples}" ) + gen = gen.drop(invalid_idx) + inputs = {"model": gen.assign(source="model")} if pubchem_file: