6 citations · 6 across the 2 of their papers we have counts for
3 papers · 1 filter
SparseChem: Fast and accurate machine learning model for small molecules
Adam Arany, Jaak Simm, Martijn Oldenhof +1
SparseChem provides fast and accurate machine learning models for biochemical applications. Especially, the package supports very high-dimensional sparse inputs, e.g., millions of…
ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep Learning
Martijn Oldenhof, Adam Arany, Yves Moreau +1
In drug discovery, knowledge of the graph structure of chemical compounds is essential. Many thousands of scientific articles in chemistry and pharmaceutical sciences have investig…
Expressive Graph Informer Networks
Jaak Simm, Adam Arany, Edward De Brouwer +1
Applying machine learning to molecules is challenging because of their natural representation as graphs rather than vectors.Several architectures have been recently proposed for de…