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| author | Christoph Helma <helma@in-silico.ch> | 2018-10-06 13:17:33 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2018-10-06 13:17:33 +0200 |
| commit | ecc3b569aacdeea0c80af372a2fe70d8aea15f64 (patch) | |
| tree | d038366bc436075e9e11cd8fc3f7988cb5dca191 /Makefile | |
| parent | b2f12e257037faa21c14a54eec0205c45c5686c6 (diff) | |
PA's updated
Diffstat (limited to 'Makefile')
| -rw-r--r-- | Makefile | 13 |
1 files changed, 6 insertions, 7 deletions
@@ -1,7 +1,3 @@ -# TODO -# remove \u003e/00 -# remove log messages in result - data = data/kazius.csv data/efsa.csv data/hansen.csv summaries = summaries/weighted_majority_merged_sim0.1.json summaries/weighted_majority_kazius_sim0.1.json summaries/weighted_majority_merged_sim0.5.json summaries/weighted_majority_kazius_sim0.5.json summaries/pa_mutagenicity_neighbor_sets.json summaries/pa_carcinogenicity_neighbor_sets.json @@ -23,7 +19,7 @@ experiments/weighted_majority_kazius_sim0.5.id: data/kazius.csv summaries/weighted_majority_merged_sim0.5.json: experiments/weighted_majority_merged_sim0.5.id scripts/repeated_crossvalidation_summary.rb $< > $@ -experiments/weighted_majority_merged_sim0.5.id: data/merged.csv +experiments/weighted_majority_merged_sim0.5.id: data/mutagenicity-merged.csv scripts/repeated_crossvalidation.rb $< > $@ summaries/weighted_majority_kazius_sim0.1.json: experiments/weighted_majority_kazius_sim0.1.id @@ -35,17 +31,20 @@ experiments/weighted_majority_kazius_sim0.1.id: data/kazius.csv summaries/weighted_majority_merged_sim0.1.json: experiments/weighted_majority_merged_sim0.1.id scripts/repeated_crossvalidation_summary.rb $< > $@ -experiments/weighted_majority_merged_sim0.1.id: data/merged.csv +experiments/weighted_majority_merged_sim0.1.id: data/mutagenicity-merged.csv scripts/repeated_crossvalidation.rb $< > $@ experiments/pa_carcinogenicity_prediction.json: data/carcinogenicity.csv data/PA_complete_SMILES_fixed.csv scripts/predict.rb $^ > $@ -experiments/pa_mutagenicity_prediction.json: data/merged.csv data/PA_complete_SMILES_fixed.csv +experiments/pa_mutagenicity_prediction.json: data/mutagenicity-merged.csv data/PA_complete_SMILES_fixed.csv scripts/predict.rb $^ > $@ # test data +data/PA_complete_SMILES_fixed.csv: data/PA.sdf + cat $< | scripts/convert_pa.rb > $@ + data/PA_complete_SMILES_fixed.csv: data/PA_complete_SMILES.csv cat $< | scripts/convert_pa.rb > $@ |