Commit f6cc4a16 authored by Geoffrey Yu's avatar Geoffrey Yu
Browse files

added logging infor about filtering results;revert filtering criteria back to default

parent 51f3325f
...@@ -24,7 +24,7 @@ from openfold.utils.tensor_utils import ( ...@@ -24,7 +24,7 @@ from openfold.utils.tensor_utils import (
tensor_tree_map, tensor_tree_map,
) )
import random import random
logging.basicConfig(level=logging.INFO)
@contextlib.contextmanager @contextlib.contextmanager
def temp_fasta_file(sequence_str): def temp_fasta_file(sequence_str):
...@@ -724,9 +724,9 @@ class OpenFoldMultimerDataset(torch.utils.data.Dataset): ...@@ -724,9 +724,9 @@ class OpenFoldMultimerDataset(torch.utils.data.Dataset):
mmcif_id = dataset.idx_to_mmcif_id(i) mmcif_id = dataset.idx_to_mmcif_id(i)
mmcif_data_cache_entry = mmcif_data_cache[mmcif_id] mmcif_data_cache_entry = mmcif_data_cache[mmcif_id]
if deterministic_multimer_train_filter(mmcif_data_cache_entry, if deterministic_multimer_train_filter(mmcif_data_cache_entry,
max_resolution=9, max_resolution=9):
minimum_number_of_residues=5):
selected_idx.append(i) selected_idx.append(i)
logging.info(f"Originally {len(mmcif_data_cache)} mmcifs. After filtering: {len(selected_idx)}")
else: else:
selected_idx = list(range(len(dataset._mmcif_id_to_idx_dict))) selected_idx = list(range(len(dataset._mmcif_id_to_idx_dict)))
return selected_idx return selected_idx
......
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