Blogpost on tokenizing SMILES baoilleach.blogspot.com/2023/12/eyes-o… #cheminformatics

#HighlightOfTheWeek Tokenizing SMILES with python. #compchem x.com/baoilleach/sta…

Workshop/retreat on deep learning in open molecular informatics. Scientific talks. Hands-on session: learn how to train DL models with Google Cloud & how to retrain GPT models for specific scientific apps. Ideal location in Bolzano, Italy. Registration at iwomi.net

Cambridge Cheminformatics Network Meeting 21 Feb 2024 macinchem.org/2024/02/09/cam… #cheminformatics

Noel O'Boyle (@[email protected]) Tomorrow we are publishing #opensource SMILES <-> IUPAC converter based on an encoder-decoder transformer. Will be happy if you can test it!

Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…

Blog post on LINGO baoilleach.blogspot.com/2024/03/learni…

#cheminformatics

#MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design jcheminf.biomedcentral.com/articles/10.11… with Morgan Thomas Noel O'Boyle (@[email protected]) @AndreasBenderUK in Journal of Cheminformatics #GenAI #cheminformatics #CADD #DrugDesign

Blog post on "Every ChEMBL everywhere, all at once" baoilleach.blogspot.com/2024/06/every-… #chembl #cheminformatics

Blogpost: Do NOT use SDFdb #cheminformatics baoilleach.blogspot.com/2024/09/do-not…

Modern hit-finding with structure-guided de novo design: Identification of novel #GPCR ligands using reinforcement learning #RNN Morgan Thomas Noel O'Boyle (@[email protected]) @AndreasBenderUK chemrxiv.org/engage/rss/che…

Closing the #CADD #AI #SBDD #loop - From #GPCR structures to #RNN #denovo #drugdesign and back again! Morgan Thomas Noel O'Boyle (@[email protected]) @AndreasBenderUK chemrxiv.org/engage/chemrxi…

Some exciting career news! baoilleach.blogspot.com/2024/12/moving…

Dune Quotes is the only thing I will miss about X. Goodbye.

#chemjobs #chempostdoc #cheminformatics #bioinformatics

#computational science -> computational results And that means scientific #data management (esp when we tie it to external sci data) If you're interested in working w/ data across chemistry, genomics, imaging and more, come and work with me vrtx.wd501.myworkdayjobs.com/Vertex_Careers…

Last chance to apply for this pivotal role in our team. #chempostdoc #ukchemjob