Kay Schaller

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 3

Top Topics

Quantum Mechanics

Explanation Based Learning

Top Venues

J. Chem. Inf. Model.

Publications

Patrick Bleiziffer, Kay Schaller, Sereina Riniker
Correction to "Machine Learning of Partial Charges Derived From High-Quality Quantum-Mechanical Calculations". J. Chem. Inf. Model. 63 (7) (2023)
Salomé Rieder, Benjamin Ries, Kay Schaller, Candide Champion, Emília P. Barros, Philippe H. Hünenberger, Sereina Riniker
Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules. J. Chem. Inf. Model. 62 (12) (2022)
Patrick Bleiziffer, Kay Schaller, Sereina Riniker
Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations. J. Chem. Inf. Model. 58 (3) (2018)