pritam0070

unable to execute the tutorial

2

ModuleNotFoundError: No module named 'aceprep' During handling of the above exception, another exception occurred: RuntimeError Traceback (most recent call last) Cell In[16], line 1 ----> 1 prot = systemPrepare(prot, pH=7.0)

how to deal with Explicit valence for atom

4

qsprpred - ERROR - AtomValenceException('Explicit valence for atom # 0 C greater than permitted') multiprocessing.pool.RemoteTraceback. I also use RdKit for Chem.Cleanup(mol) # `Cleanup` Chem.SanitizeMol(mol) # Validate but stil it giving...

Installing build dependencies ... done Getting requirements to build wheel ... error error: subprocess-exited-with-error × Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> [416...