Merge pull request #201 from KosinskiLab/add-unifold

Update alphalink2 inference integration
KosinskiLab · Nov 13, 2023 · 48103a0 · 48103a0
2 parents ed7218b + e3be144
commit 48103a0
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Showing 2 changed files with 1 addition and 2 deletions.
diff --git a/alphapulldown/run_multimer_jobs.py b/alphapulldown/run_multimer_jobs.py
@@ -343,7 +343,6 @@ def predict_individual_jobs(multimer_object, output_path, model_runners, random_
         unifold_predict(model_runner,general_args,processed_features)
 
     elif FLAGS.use_alphalink:
-        assert FLAGS.crosslinks is not None
         assert FLAGS.alphalink_weight is not None
         from unifold.alphalink_inference import alphalink_prediction
 

diff --git a/test/test_crosslink_input.py b/test/test_crosslink_input.py
@@ -7,7 +7,7 @@
 class TestCreateObjects(unittest.TestCase):
     def setUp(self) -> None:
         self.crosslink_info ="./test/test_data/test_xl_input.pkl.gz"
-        self.asym_id = [1]*10 + [2]*25 + [3]*40
+        self.asym_id = torch.tensor([1]*10 + [2]*25 + [3]*40)
         self.chain_id_map = {
             "A":_FastaChain(sequence='',description='chain1'),
             "B":_FastaChain(sequence='',description='chain2'),