Engkvist, Ola

6 publications

ICLR 2025 Boltzmann Priors for Implicit Transfer Operators Juan Viguera Diez, Mathias Jacob Schreiner, Ola Engkvist, Simon Olsson
IJCAI 2025 Diversity-Aware Reinforcement Learning for De Novo Drug Design Hampus Gummesson Svensson, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani
ICMLW 2024 Towards Reliable Uncertainty Estimates for Drug Discovery: A Large-Scale Temporal Study of Probability Calibration Hannah Rosa Friesacher, Emma Svensson, Adam Arany, Lewis Mervin, Ola Engkvist
MLJ 2024 Utilizing Reinforcement Learning for De Novo Drug Design Hampus Gummesson Svensson, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani
AAAI 2023 Industry-Scale Orchestrated Federated Learning for Drug Discovery Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Wouter Heyndrickx, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Antoine Simon, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier
NeurIPSW 2023 Leveraging Expert Feedback to Align Proxy and Ground Truth Rewards in Goal-Oriented Molecular Generation Julien Martinelli, Yasmine Nahal, Duong Lê, Ola Engkvist, Samuel Kaski