Paul Katzberger

Affiliations
  • Department of Chemistry and Applied Biosciences, ETH Zurich, RETHINK, Vladimir-Prelog-Weg 4, Zurich 8093, Switzerland.

Publications (9)

Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models.

Journal of chemical information and modeling
Avec: Michael Moret , Francesca Grisoni , Paul Katzberger , Gisbert Schneider

DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment.

Journal of chemical information and modeling
Avec: Marc T Lehner , Paul Katzberger , Niels Maeder , Carl C G Schiebroek , Jakob Teetz , Gregory A Landrum , Sereina Riniker

A general graph neural network based implicit solvation model for organic molecules in water.

Chemical science
Avec: Paul Katzberger , Sereina Riniker

Implicit solvent approach based on generalized Born and transferable graph neural networks for molecular dynamics simulations.

The Journal of chemical physics
Avec: Paul Katzberger , Sereina Riniker

Influence of the Fluorophore Mobility on Distance Measurements by Gas-Phase FRET.

The journal of physical chemistry. A
Avec: Jonas B Metternich , Paul Katzberger , Anna S Kamenik , Prince Tiwari , Ri Wu , Sereina Riniker , Renato Zenobi

Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin Strings.

Journal of chemical information and modeling
Avec: Jessica Braun , Paul Katzberger , Gregory A Landrum , Sereina Riniker

Probing the Stability of a β-Hairpin Scaffold after Desolvation.

The journal of physical chemistry letters
Avec: Lukas R Benzenberg , Paul Katzberger , Ri Wu , Jonas B Metternich , Sereina Riniker , Renato Zenobi

lwreg: A Lightweight System for Chemical Registration and Data Storage.

Journal of chemical information and modeling
Avec: Gregory A Landrum , Jessica Braun , Paul Katzberger , Marc T Lehner , Sereina Riniker

DASH properties: Estimating atomic and molecular properties from a dynamic attention-based substructure hierarchy.

The Journal of chemical physics
Avec: Marc T Lehner , Paul Katzberger , Niels Maeder , Gregory A Landrum , Sereina Riniker

Réseau de co-auteurs

Sereina Riniker 8 collaborations
Gregory A Landrum 4 collaborations
Marc T Lehner 3 collaborations
Niels Maeder 2 collaborations
Jonas B Metternich 2 collaborations
Ri Wu 2 collaborations
Renato Zenobi 2 collaborations
Jessica Braun 2 collaborations
Michael Moret 1 collaboration
Francesca Grisoni 1 collaboration
Gisbert Schneider 1 collaboration
Carl C G Schiebroek 1 collaboration
Jakob Teetz 1 collaboration
Anna S Kamenik 1 collaboration
Prince Tiwari 1 collaboration
Lukas R Benzenberg 1 collaboration