diff --git a/Pipeline/Snakefile b/Pipeline/Snakefile index aaa256afd79598a01cc5bb846ee3336964c988c8..2079908c686fe11fa23a9a3dec82054d488d653d 100644 --- a/Pipeline/Snakefile +++ b/Pipeline/Snakefile @@ -88,6 +88,8 @@ rule modify_ba_predictions_for_substrings: config['output_dir'] + '/data/substr_modified_ba_prediction_data.pkl.gz' params: pep = define_param() + conda: + 'envs/ilp.yaml' script: 'scripts/filter_substrings_in_ba_predictions.py' @@ -100,6 +102,8 @@ rule set_index_in_ba_predictions: config['output_dir'] + '/data/embedded_substr_modified_ba_prediction_data.pkl.gz' params: pep = peptides + conda: + 'envs/ilp.yaml' script: 'scripts/binding_affinities_for_embedded_peptide.py'