ssalaniwal

Pre-condition Violation Number of atom mismatch Violation occurred on line 564 in file Code\GraphMol\ROMol.cpp Failed Expression: conf->getNumAtoms() == this->getNumAtoms() RDKIT: 2017.09.1 BOOST: 1_56

2

Hi, When using Python Script node in Knime after the RDKit R-group Decomposition node, I am getting the following error message. ERROR Python Script 0:54 Execute failed: Pre-condition Violation Number...

installation issue

4

Hi, When trying to run diffdock using the command below, I got this error. Please advice how to fix this: (diffdock) [root@oric-zCHS3IvgQd:~/DiffDock]# python -m inference --config default_inference_args.yaml --protein_path /root/DiffDock/examples/1a46_protein_processed.pdb --ligand...

file missing in data folder

1

Per instructions there should be a file "protein_ligand_example_csv.csv" in the data sub-folder, however in my installation only the following files exist: drwxr-xr-x 2 root root 4096 Mar 21 14:44 1a0q...