22 citations · 28 across the 11 of their papers we have counts for
3 papers · 1 filter
Molecular Diffusion Models with Virtual Receptors
Matan Halfon, Eyal Rozenberg, Ehud Rivlin +1
Machine learning approaches to Structure-Based Drug Design (SBDD) have proven quite fertile over the last few years. In particular, diffusion-based approaches to SBDD have shown gr…
A Theoretical Framework for an Efficient Normalizing Flow-Based Solution to the Electronic Schrodinger Equation
Daniel Freedman, Eyal Rozenberg, Alex Bronstein
A central problem in quantum mechanics involves solving the Electronic Schrodinger Equation for a molecule or material. The Variational Monte Carlo approach to this problem approxi…
Overcoming Order in Autoregressive Graph Generation
Edo Cohen-Karlik, Eyal Rozenberg, Daniel Freedman
Graph generation is a fundamental problem in various domains, including chemistry and social networks. Recent work has shown that molecular graph generation using recurrent neural…