From 8ddbc19585fb4d997e69499a3ea3ee7344c7c4ad Mon Sep 17 00:00:00 2001 From: Geoffrey Yu Date: Mon, 13 Nov 2023 16:01:17 +0100 Subject: [PATCH 1/2] update unittest on crosslink input --- test/test_crosslink_input.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/test_crosslink_input.py b/test/test_crosslink_input.py index de31716b..4803d8fb 100644 --- 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'), From e3be14460a900ff62c274c2a4cede7e6d251ac45 Mon Sep 17 00:00:00 2001 From: Geoffrey Yu Date: Mon, 13 Nov 2023 16:03:29 +0100 Subject: [PATCH 2/2] remove the requirements for xl data when running alphalink2 inference --- alphapulldown/run_multimer_jobs.py | 1 - 1 file changed, 1 deletion(-) diff --git a/alphapulldown/run_multimer_jobs.py b/alphapulldown/run_multimer_jobs.py index 00bb3aef..cf469ebf 100755 --- 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