Open cyangNYU opened 6 months ago
I have run the following command:
neuralplexer-inference --task=batched_structure_sampling \ --input-receptor /data/NeuralPLexer_pred/protein.pdb \ --input-ligand /data/NeuralPLexer_pred/HJX_ideal.sdf \ --out-path outdir \ --model-checkpoint complex_structure_prediction.ckpt \ --n-samples 16 --chunk-size 4 --num-steps=40 \ --cuda --sampler=langevin_simulated_annealing
Got this error:
__init__.py 14 <module> f'{library}_{suffix}', [osp.dirname(__file__)]).origin) AttributeError: 'NoneType' object has no attribute 'origin' ---------------------------------------------------------------------------------------------------------------- neuralplexer-inference 33 <module> sys.exit(load_entry_point('neuralplexer', 'console_scripts', 'neuralplexer-inference')()) neuralplexer-inference 25 importlib_load_entry_point return next(matches).load() __init__.py 171 load module = import_module(match.group('module')) __init__.py 126 import_module return _bootstrap._gcd_import(name[level:], package, level) <frozen importlib._bootstrap> 1050 _gcd_import <frozen importlib._bootstrap> 1027 _find_and_load <frozen importlib._bootstrap> 1006 _find_and_load_unlocked <frozen importlib._bootstrap> 688 _load_unlocked <frozen importlib._bootstrap_external> 883 exec_module <frozen importlib._bootstrap> 241 _call_with_frames_removed inference.py 30 <module> from neuralplexer.model.wrappers import NeuralPlexer wrappers.py 11 <module> from neuralplexer.model.cpm import BindingFormer, ProtFormer cpm.py 6 <module> from neuralplexer.model.common import GELUMLP common.py 4 <module> from torch_scatter import scatter_max, scatter_min __init__.py 17 <module> raise AttributeError(e) AttributeError: 'NoneType' object has no attribute 'origin'
Any suggestions here?
maybe you need to download the correct version of torch-scatter and others ,then install them using pip
I have run the following command:
Got this error:
Any suggestions here?