Yangph1998

WARNING -The test dataset did not contain ligand54 and input/7y9b_A_relax.pdb. We are skipping this complex

1


confusion about the value of confidence

1

you have done a great work, and it perfroms well on my protein and ligand. But, i have a question about the value of confidence. In the README, it shows...

when i print "python -m inference --config default_inference_args.yaml --protein_ligand_csv data/protein_ligand_example.csv --out_dir results/user_predictions_small", it will be stuck and not responding for a few hours,

4 | #error C++17 or later compatible compiler is required to use PyTorch. | ^~~~~ In file included from /home/ps/miniconda3/envs/diffdock/lib/python3.9/site-packages/torch/include/ATen/core/TensorBase.h:14, from /home/ps/miniconda3/envs/diffdock/lib/python3.9/site-packages/torch/include/ATen/core/TensorBody.h:38, from /home/ps/miniconda3/envs/diffdock/lib/python3.9/site-packages/torch/include/ATen/core/Tensor.h:3, from /home/ps/miniconda3/envs/diffdock/lib/python3.9/site-packages/torch/include/ATen/Tensor.h:3, from /home/ps/miniconda3/envs/diffdock/lib/python3.9/site-packages/torch/include/torch/csrc/autograd/function_hook.h:3, from /home/ps/miniconda3/envs/diffdock/lib/python3.9/site-packages/torch/include/torch/csrc/autograd/cpp_hook.h:2,...