Open Babel 3.0 will break the API in a few places. More info here: open-babel.readthedocs.io/en/latest/UseT… #openbabel

RDKit UGM 2019 in Hambrug! #RDKit #Chemoinformatics iwatobipen.wordpress.com/2019/09/29/rdk…

Teaching Siri to Understand Chemistry: Some fun with Siri Shortcuts and cheminformatics web services matt-swain.com/blog/2020-01-1…

Can you solve the puzzle? matt-swain.com/blog/2020-02-0…

This post brings together several threads in molecular representation I've been following for a while now. depth-first.com/articles/2020/…

A great set of talks this morning in the first session of #RDKitUGM2020 - looking forward to more this afternoon!

Hot news! Our ChemDataExtractor Team are E&T Innovation Award Finalists with "AI to serve data-driven materials discovery" See tinyurl.com/y5mmwgx7

We are recruiting a new co-Editor-in-Chief! To find out more information, including how to apply if you are interested, please visit: jcheminf.biomedcentral.com/eic-applicatio…

Open Babel is now available for osx-arm64 on conda-forge to support Apple Silicon! Would be interested to hear if anyone with an M1 Mac is able to test if the package works. Open Babel Conda Forge anaconda.org/conda-forge/op…

The video for the latest RSC_CICAG workshop is online macinchem.org/blog/files/fe6… Huge thanks to Patrick Walters for running a fantastic workshop "Introduction to Cheminformatics and Machine Learning" #compchem #cheminformatics RSC BMCS Royal Society of Chemistry

Very cool

Nice use of PubChemPy! github.com/mcs07/PubChemPy

A cool cheminformatics web app that was just presented at #RDKitUGM2021 - great combination of Python on the server and React in the browser github.com/jku-vds-lab/pr…

Notebook showing the features of mols2grid presented by Cédric Bouysset at #RDKitUGM2021 github.com/cbouy/UGM_2021…

Really like the Pythonic API provided by datamol.io - very thoughtful design by Hadrien Mary with good documentation too! #RDKitUGM2021

Registration for the next batch of Open-Source Tools workshops run by RSC_CICAG is now open. Protein Data Bank, using KLIFS kinase database and shape/electrostatics matching from @esther_heid macinchem.org/blog/files/bf4… #compchem

I just published SmilesDrawer 2.0. Do we need solarized, gruvbox, cyberpunk, and matrix themes to display chemical structures *and* reactions with just the SMILES and one line of JavaScript? Yes, absolutely yes. Check it out here: smilesdrawer.rocks

Layered molecular hashing by Dan Nealschneider and the team at Schrodinger, extending previous MolHash work by Noel O'Boyle (@[email protected]) & NextMove Software. Looks great! Fantastic that all of this is open source in the RDKit. github.com/rdkit/rdkit/pu…

We’ll be hosting a recruiting talk at the University of Cambridge on May 2 (6–7:30 PM; The Pitt Building, Trumpington Street).  Join us to learn about our current research, drug discovery, machine learning, and engineering projects as well as open positions. Food will be served!