Michel Moreau
Michel Moreau
This would simplify things when working in the context of querying a rest api where the json response contains a list of molecules. Quick REST API examples: - Molport -...
The main reason we use [rdkit-js ](https://github.com/rdkit/rdkit-js) over this library at the moment is because smiles-drawer has no support for molblock and cxsmiles, and thus no way to "align" molecules...
Congrats on the effort, do you have discussion with ant team to port this back? this is too good!
Very nice utils! It'd be cool if you provided examples in action for some/all of them. I am particularly interested in the cross entropy with label smoothing. Thanks! #
Add examples on how to use rdkit-js in a offline-first app see context here https://github.com/rdkit/rdkit-js/discussions/150#discussioncomment-3338647
See context of this issue here https://github.com/rdkit/rdkit-js/discussions/150#discussioncomment-3338647 @heberleh more thoughts welcome here :+1:
# npm i @rdkit/rdkit, future directions Preparing [slides](https://docs.google.com/presentation/d/1PeFYr8eW7n9n0UpVlaxBr_QLfU3A4UFRelbnil3EVj8/edit?usp=sharing) for [RDKit UGM 2023](https://github.com/rdkit/UGM_2023) got me thinking more seriously about this project's future directions. While there was not a lot of hands...