Gianni De Fabritiis
31PUBLICATIONS
60CO-AUTHORS
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Publications (31)
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|Dec 09, 2025
Test-Time Training Scaling Laws for Chemical Exploration in Drug Design.Morgan Thomas, Albert Bou, Gianni De Fabritiis
|Nov 16, 2025
REINFORCE-ING Chemical Language Models for Drug Discovery.Morgan Thomas, Albert Bou, Jose Carlos Gómez-Tamayo
|Jul 18, 2025
Navigating protein landscapes with a machine-learned transferable coarse-grained model.Nicholas E Charron, Klara Bonneau, Aldo S Pasos-Trejo
|Apr 08, 2025
QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials.Francesc Sabanés Zariquiey, Stephen E Farr, Stefan Doerr
|Feb 11, 2025
Broadening the Scope of Neural Network Potentials through Direct Inclusion of Additional Molecular Attributes.Guillem Simeon, Antonio Mirarchi, Raul P Pelaez
|Nov 08, 2024
AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics.Antonio Mirarchi, Raúl P Peláez, Guillem Simeon
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Frequent Collaborators
8 joint publications
Maciej Majewski
6 joint publications
Stefan Doerr
6 joint publications
Adrià Pérez
6 joint publications
Raimondas Galvelis
4 joint publications
Thomas E Markland
4 joint publications
Raúl P Peláez
3 joint publications
Toni Giorgino
3 joint publications
Gerard Martínez-Rosell
3 joint publications
Andreas Krämer
3 joint publications
Gary Tresadern
