350 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
3 papers
Learning solutions of parametric Navier-Stokes with physics-informed neural networks
M. Naderibeni, M. J. T. Reinders, L. Wu +1
We leverage Physics-Informed Neural Networks (PINNs) to learn solution functions of parametric Navier-Stokes Equations (NSE). Our proposed approach results in a feasible optimizati…
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesis
Igor V. Tetko, Pavel Karpov, Ruud Van Deursen +1
We investigated the effect of different training scenarios on predicting the (retro)synthesis of chemical compounds using a text-like representation of chemical reactions (SMILES)…
Transformer-CNN: Fast and Reliable tool for QSAR
Pavel Karpov, Guillaume Godin, Igor V. Tetko
We present SMILES-embeddings derived from the internal encoder state of a Transformer [1] model trained to canonize SMILES as a Seq2Seq problem. Using a CharNN [2] architecture upo…