Related Issues (20)
- Choice of binding site or whole protein docking? HOT 1
- How to segment the protein with functional blocks? HOT 4
- Question about Evaluation Script HOT 2
- Is the ligand RMSD computed without hydrogen HOT 5
- Matrix dimension error when I am trying to inference HOT 12
- Issue of affinity evaluation HOT 2
- Strange Molecular's pose output HOT 2
- Installation problems: libtorch_cuda_cu.so not found HOT 5
- The exact number of PDBBind training set HOT 2
- run model(data) error HOT 6
- A problem when building construction dataset
- self_dock.pt vs. re_dock.pt
- M1 Mac optimisation
- Requesting list of unseen receptors and scripts for filtering HOT 2
- RuntimeError: mat1 and mat2 shapes cannot be multiplied (185x18 and 19x56) HOT 1
- ImportError: No module named 'torch_ext'
- apr22_pdbbind_gvp_pocket_radius20 HOT 1
- How to solve the matrix mismatch in testset_ evaluation_clean.ipynb HOT 1
- The following problem arise with the p2rank in construction_PDBbind_training_and_test_dataset
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