David Kreutter @DavidKreutter
PhD student @reymondgroup in #MachineLearning for #Chemistry #Biocatalysis @unibern #Cheminformatics #Retrosynthesis #AI #NLP Berne, Switzerland Joined April 2020-
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📢📄 I'm thrilled to share that my latest work has been published! We integrated experimental biocatalysis reactions from Reaxys into our synthesis planning tool to make it explore chemoenzymatic retrosynthesis routes. #MachineLearning #Transformer @DCBPunibern
📢📄 I'm thrilled to share that my latest work has been published! We integrated experimental biocatalysis reactions from Reaxys into our synthesis planning tool to make it explore chemoenzymatic retrosynthesis routes. #MachineLearning #Transformer @DCBPunibern
📢Preprint expanding our multistep retrosynthesis tool to biocatalysis with transformers trained on Reaxys experimental data now explores mixed chemo and biocatalytic routes! Preprint: chemrxiv.org/engage/chemrxi… GitHub: github.com/reymond-group/… @jrjrjlr @reymondgroup #biocatalysis
Check out my Multistep #retrosynthesis tool now available on GitHub! #Chemistry #synthesisplanning #MachineLearning #compchem #cheminformatics #chemoinformatics
Check out my Multistep #retrosynthesis tool now available on GitHub! #Chemistry #synthesisplanning #MachineLearning #compchem #cheminformatics #chemoinformatics
My preprint about Multistep Retrosynthesis is finally out!! It uses a Disconnection Aware Triple Transformer Loop and it is guided by a Route Penalty Score. Check out #retrosynthesis examples on recently approved drugs! #cheminformatics #TransformerArchitecture #synthesisplanning
My preprint about Multistep Retrosynthesis is finally out!! It uses a Disconnection Aware Triple Transformer Loop and it is guided by a Route Penalty Score. Check out #retrosynthesis examples on recently approved drugs! #cheminformatics #TransformerArchitecture #synthesisplanning
📢We are #hiring! Two fully funded PhD student positions are open in our group @reymondgroup @jrjrjlr, starting Feb. 2023 to carry out a PhD thesis in Synthetic Organic/Medicinal Chemistry or Cheminformatics. 👉Find out more: gdb.unibe.ch/positions @DCBPunibern #chemtwitter #PhD
1/ What makes this @ChemicalScience front cover so special is how it was made. It is probably the first-ever journal cover designed using a VQGAN + CLIP and the unreal engine trick! #VQGAN #CLIP #GenerativeArt More information in the thread ⬇️
1/ What makes this @ChemicalScience front cover so special is how it was made. It is probably the first-ever journal cover designed using a VQGAN + CLIP and the unreal engine trick! #VQGAN #CLIP #GenerativeArt More information in the thread ⬇️ https://t.co/1JoqEWNgp1
Congratulations to @DavidKreutter!! His first, first author publication in the group is now on the cover of @ChemicalScience Read it here 👉 ow.ly/OvE550Fmtct #Chemistry #Catalysis #VQGAN #machinelearning #ai #compchem @DCBunibern
Congratulations to @DavidKreutter!! His first, first author publication in the group is now on the cover of @ChemicalScience Read it here 👉 ow.ly/OvE550Fmtct #Chemistry #Catalysis #VQGAN #machinelearning #ai #compchem @DCBunibern
Issue 25 is here 🎉 Featured on our front cover today is Jean-Louis Reymond et al.'s latest work on predicting enzymatic reactions with a molecular transformer 🤩 Read it here 👉 ow.ly/OvE550Fmtct 📍 @unibern | #ChemSciCovers🎨
“Enzymatic chemical reactions. Green chemistry. …” Currently a hot topic, recent work by @DavidKreutter (pubs.rsc.org/en/Content/Art…) and @skepteis (bit.ly/3hOLlHu)
Congratulations to @DavidKreutter for his first, first author publication of his PhD with @pschwllr ! Published in @ChemicalScience "Predicting Enzymatic Reactions with a Molecular Transformer" doi.org/10.1039/D1SC02… @DCBunibern #Biocatalysis #MachineLearning #Transformers
1/ One of the final pieces of my PhD is out in @NatMachIntell. Let’s explore chemical reaction space using language models! Article: rdcu.be/cenmd Blog: ibm.co/3t0kzPw Code: github.com/rxn4chemistry/… #ChemTwitter #CompChem @IBMResearch @reymondgroup @DCBunibern
My first publication preprint about Biocatalysis Reaction Prediction available on ChemRxiv!
My first publication preprint about Biocatalysis Reaction Prediction available on ChemRxiv! https://t.co/lAjm9SO0Xw
@skepteis @acvaucher @teodorolaino @reymondgroup @IBMResearch The interactive version of the Reaction Atlas can be found on: rxn4chemistry.github.io/rxnfp//tmaps/t… -> @DavidKreutter
Mapping the Space of Chemical Reactions See the preprint here: chemrxiv.org/articles/prepr… with @pschwllr, @acvaucher, Vishnu H Nair, David Kreutter, @teodorolaino, and Jean-Louis Reymond of @reymondgroup and @IBMResearch #IOPPposter #chemistry
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