Joos Kiener

I like having rdkit as rendering option in preferred renders. However the render settings used by default and I can't seem to change them are pretty bad in my opinion....

I can set RDKit 2D depictions as preferred renderer for smiles and sdf but not for molfile or inchi. For molfile columns in the table view I can switch to...

Output Column Naming and Append vs replace

2

This is most likely very subjective but I always "struggle" with the configuration of the RDKit nodes namely the output column name of the changed molecule. The actual cases where...

No Windows Build

7

looks great guys! Windows build would be well appreciated! For the time being I suggest to mention this in the docs in the install section (On windows the conda command...

How can I use other algorithms with Etree?

1

Again this library looks interesting. While playing around and reading tutorial I wasn't able to figure out how to run ExplorationTree with custom operations but using different than classic algorithm.

**Describe the bug** Parsing a CDXML containing dative bonds results with below error message: `Failed to parse XML fragment 1 node: b attribute: Order: dative` **To Reproduce** m = Chem.MolsFromCDXML(cdxml)...

Ensure that query bonds and atoms always appear as "wildcards" in SMILES (and with that same query molecule should result in same SMILES)

2

**Is your feature request related to a problem? Please describe.** When creating a molecule from SMARTS and then generating SMILES, the generated SMILES can be different with a different "order"...