Jon Paul Janet

According to our database, Jon Paul Janet authored at least 14 papers between 2021 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Evaluation of reinforcement learning in transformer-based molecular design.

Jiazhen He, Alessandro Tibo, Jon Paul Janet, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist

J. Cheminformatics, December, 2024

HSQC Spectra Simulation and Matching for Molecular Identification.

Martin Priessner, Richard J. Lewis, Magnus J. Johansson, Jonathan M. Goodman, Jon Paul Janet, Anna Tomberg

J. Chem. Inf. Model., 2024

PepINVENT: Generative peptide design beyond the natural amino acids.

Gökçe Geylan, Jon Paul Janet, Alessandro Tibo, Jiazhen He, Atanas Patronov, Mikhail Kabeshov, Florian David, Werngard Czechtizky, Ola Engkvist, Leonardo De Maria

CoRR, 2024

Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport.

Ross Irwin, Alessandro Tibo, Jon Paul Janet, Simon Olsson

CoRR, 2024

Masked Attention is All You Need for Graphs.

David Buterez, Jon Paul Janet, Dino Oglic, Pietro Lio

CoRR, 2024

Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation.

Thomas Löhr, Michael Dodds, Lili Cao, Mikhail Kabeshov, Michele Assante, Jon Paul Janet, Marco Klähn, Ola Engkvist

CoRR, 2024

Towards Interpretable Models of Chemist Preferences for Human-in-the-Loop Assisted Drug Discovery.

Yasmine Nahal, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski

Proceedings of the AI in Drug Discovery - First International Workshop, 2024

2023

MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.

David Buterez, Jon Paul Janet, Steven J. Kiddle, Pietro Liò

J. Chem. Inf. Model., May, 2023

2022

Author Correction: Improving de novo molecular design with curriculum learning.

Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov

Nat. Mach. Intell., 2022

Improving de novo molecular design with curriculum learning.

Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov

Nat. Mach. Intell., 2022

Graph Neural Networks with Adaptive Readouts.

David Buterez, Jon Paul Janet, Steven J. Kiddle, Dino Oglic, Pietro Liò

Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

2021

Reusability report: Learning the language of synthetic methods used in medicinal chemistry.

Jon Paul Janet, Anna Tomberg, Jonas Boström

Nat. Mach. Intell., 2021

DockStream: a docking wrapper to enhance de novo molecular design.

Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

J. Cheminformatics, 2021

Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery.

Daniel R. Harper, Aditya Nandy, Naveen Arunachalam, Chenru Duan, Jon Paul Janet, Heather J. Kulik

CoRR, 2021