Re: [Rdkit-discuss] RDKit Error capturing: Chem.WrapLogs unexpected result

Hi Adelene, WrapLogs() is in a way the equivalent of the bash tee command; it allows you to redirect stderr to a Python stream of your choice, but it does not suppress the original C++ stderr stream. If you wish to suppress it, you may redirect your wrap_logs.py script's stderr to /dev/null in

[Rdkit-discuss] Google Research Job Opening - Drug Discovery Scientist

Hi RDKit community, We are looking for a drug discovery scientist with computational and machine learning expertise [job link ]. At Google, you will have access to massive amounts of data and compute

[Rdkit-discuss] RDKit Error capturing: Chem.WrapLogs unexpected result

Hi RDKit Community, I'm trying to run a script in the command line without having any RDKit warnings or errors show up in the CL. Instead, I want them written into a log.txt from rdkit import Chem from contextlib import redirect_stderr Chem.WrapLogs() with open('log.txt', 'w') as f:

Re: [Rdkit-discuss] RDKit molecule standardization/normalization protocol

Hi JP, On Thu, Jun 17, 2021 at 8:37 PM JP Ebejer wrote: > > I am trying to standardize(/normalize?) some molecules from different > sources, to generate a set of descriptors for them. I have done this a > number of times, and each time I find the process slightly confusing. I > have the