Mikołaj Sacha
@mikolajsacha
Head of Machine Learning at @MoleculeOne - working on improving chemical synthesis planning with deep learning. Also, PhD student at @JagiellonskiUni
ID:762272040120356864
07-08-2016 12:59:51
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We will present our newest work on retrosynthesis modeling at Molecule.one at the ML4Molecules workshop tomorrow. The workshop is held online and free, so see you there!
Exciting news! Molecule.one is thrilled to announce our participation at #NeurIPS2023 in New Orleans, a premier conference for machine learning and AI. We will be presenting: Molecule-Edit Templates for Efficient and Accurate Retrosynthesis Prediction at 2 workshops
Our work on MEGAN retrosynthesis prediction model has just been published at @JCIM_ACS . The paper includes more extensive evaluation and comparison to recent methods. Molecule.one
MEGAN: Modeling Chemical Reactions as Sequences of Graph Edits. Our poster about recent research at Molecule.one for the 3rd
RSC BMCS / RSC_CICAG AI in Chemistry meeting #AIChem20posters
We would like to invite everyone to the warsaw.ai meeting which takes place today at 6 PM CEST. Mikołaj Błaż from Molecule.one will be speaking about how we can leverage AI-powered synthesis planning against COVID-19. The event is remote and for free.
Our new graph-based, template-free approach to retrosynthesis is now online, showing strong performance on the USPTO-50k single-step benchmark task. Work led by Vignesh Ram Somnath in collaboration with Charlotte Bunne Andreas Krause Regina Barzilay | arxiv.org/abs/2006.07038 #compchem MIT Jameel Clinic for AI & Health