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Dries Van Rompaey

2 results in Authors: Dries Van Rompaey

Analytical Chemistry

On Failure Modes of Molecule Generators and Optimizers

Philipp Renz, Dries Van Rompaey, Jörg Kurt Wegner, Sepp Hochreiter, Günter Klambauer

Version 1 posted 30 April 2020

1,275

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2

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Theoretical and Computational Chemistry

Aquamarine: Quantum-Mechanical Exploration of Conformers and Solvent Effects in Large Drug-like Molecules

Leonardo Rafael Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko

Version 1 posted 21 February 2024

733

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