44 citations · 75 across the 9 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cs.LG2023
The power of motifs as inductive bias for learning molecular distributions
Johanna Sommer, Leon Hetzel, David Lüdke +2
Machine learning for molecules holds great potential for efficiently exploring the vast chemical space and thus streamlining the drug discovery process by facilitating the design o…
physics.chem-ph2023★ 1 cited
MAGNet: Motif-Agnostic Generation of Molecules from Shapes
Leon Hetzel, Johanna Sommer, Bastian Rieck +2
Recent advances in machine learning for molecules exhibit great potential for facilitating drug discovery from in silico predictions. Most models for molecule generation rely on th…