Eloy Félix

parallelise fp file creation

1

this should save some time when creating big fp files

adds maccs fp that will be included in [2023.03.01](https://github.com/rdkit/rdkit/milestone/75?closed=1)

`IndigoException: molecule: invalid connectivity given: -1` when ionizing ChEMBL SMILES

3

I was willing to play a bit with pKa models in Indigo when I found this issue. **Steps to Reproduce** ```python from indigo import Indigo indigo = Indigo() indigo.setOption("pKa-model", "advanced")...

related to https://github.com/chembl/chembl_core_model/issues/10 we need this data to be accessible from WS

related to https://github.com/chembl/chembl_core_model/issues/9 we need this data to be accessible from WS

UHBD is an old format but it's still used by some software. It would be nice to also be able to read this format. An example implementation of how to...

Some images, for example `US20230354702A1-20231102-C00260.TIF` from USTPO grant red book (attached) makes MolScribe to hang for hours and use an unreasonable amount of RAM. https://github.com/thomas0809/MolScribe/blob/97acee57d10bd719f4dc1cfd30d09f142b7dc65f/molscribe/chemistry.py#L200 shows: [('L', 202)] 2020202020201 L...