fix: alignment data now available as pytoda.proteins.kinase_as_alignment

PaccMann · Jun 20, 2022 · 245c9b5 · 245c9b5
1 parent 245d51f
commit 245c9b5
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diff --git a/pytoda/proteins/__init__.py b/pytoda/proteins/__init__.py
@@ -1,3 +1,11 @@
+import pandas as pd
+from importlib_resources import as_file, files
+
 from .protein_feature_language import ProteinFeatureLanguage  # noqa
 from .protein_language import ProteinLanguage  # noqa
 from .utils import aas_to_smiles  # noqa
+
+with as_file(
+    files('pytoda.proteins.metadata').joinpath('kinase_activesite_alignment.smi')
+) as alignment_filepath:
+    kinase_as_alignment = pd.read_csv(alignment_filepath, sep='\t')
diff --git a/pytoda/proteins/metadata/__init__.py b/pytoda/proteins/metadata/__init__.py