include more fingerprints into DATASETS

mldrugdiscovery · Jul 27, 2020 · cf566a6 · cf566a6
1 parent eb65b4f
commit cf566a6
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diff --git a/.DS_Store b/.DS_Store
diff --git a/ann_benchmarks/datasets.py b/ann_benchmarks/datasets.py
@@ -687,5 +687,7 @@ DATASETS = {
     'chembl-1024-p3-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 1024, 3, 'jaccard', 'bit'),
     'chembl-1024-p5-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 1024, 5, 'jaccard', 'bit'),
     'chembl-512-p7-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 512, 7, 'jaccard', 'bit'),
-    'chembl-2048-p7-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 2048, 7, 'jaccard', 'bit')
+    'chembl-2048-p7-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 2048, 7, 'jaccard', 'bit'),
+    'chembl-2048-p3-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 2048, 3, 'jaccard', 'bit'),
+    'chembl-2048-p5-jaccard-tp': lambda out_fn: topological_fp(out_fn, 'Chembl', 2048, 5, 'jaccard', 'bit')
 }