hi here :
i try to laod the dataset at goolgcolab with this code :
dataset = PDBBind(subset='refined', pdb_version='v2015', construct_graph_and_featurize=ACNN_graph_construction_and_featurization)but I encounter an error:
RemoteTraceback Traceback (most recent call last)
RemoteTraceback:
"""
Traceback (most recent call last):
File "/usr/lib/python3.10/multiprocessing/pool.py", line 125, in worker
result = (True, func(*args, **kwds))
File "/usr/lib/python3.10/multiprocessing/pool.py", line 51, in starmapstar
return list(itertools.starmap(args[0], args[1]))
File "/usr/local/lib/python3.10/dist-packages/dgllife/utils/complex_to_graph.py", line 272, in ACNN_graph_construction_and_featurization
ligand_srcs, ligand_dsts, ligand_dists = k_nearest_neighbors(
File "/usr/local/lib/python3.10/dist-packages/dgllife/utils/mol_to_graph.py", line 702, in k_nearest_neighbors
dists_i.remove(0)
ValueError: list.remove(x): x not in list
"""
When I use the core dataset, I do not encounter this error. What could be the reason for this and how can I solve it? Thank u !!!
hi here : i try to laod the dataset at goolgcolab with this code : dataset = PDBBind(subset='refined', pdb_version='v2015', construct_graph_and_featurize=ACNN_graph_construction_and_featurization)but I encounter an error: RemoteTraceback Traceback (most recent call last) RemoteTraceback: """ Traceback (most recent call last): File "/usr/lib/python3.10/multiprocessing/pool.py", line 125, in worker result = (True, func(*args, **kwds)) File "/usr/lib/python3.10/multiprocessing/pool.py", line 51, in starmapstar return list(itertools.starmap(args[0], args[1])) File "/usr/local/lib/python3.10/dist-packages/dgllife/utils/complex_to_graph.py", line 272, in ACNN_graph_construction_and_featurization ligand_srcs, ligand_dsts, ligand_dists = k_nearest_neighbors( File "/usr/local/lib/python3.10/dist-packages/dgllife/utils/mol_to_graph.py", line 702, in k_nearest_neighbors dists_i.remove(0) ValueError: list.remove(x): x not in list """ When I use the core dataset, I do not encounter this error. What could be the reason for this and how can I solve it? Thank u !!!