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José Jiménez-Luna

12PUBLICATIONS

33CO-AUTHORS

Deep learningSemi- and unsupervised learningBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistry

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Publications (12)

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|Jul 10, 2025

Scalable emulation of protein equilibrium ensembles with generative deep learning.

Sarah Lewis, Tim Hempel, José Jiménez-Luna

|Nov 01, 2023

Extracting medicinal chemistry intuition via preference machine learning.

Oh-Hyeon Choung, Riccardo Vianello, Marwin Segler

|Apr 04, 2023

Structure-Based Drug Discovery with Deep Learning.

R Özçelik, D van Tilborg, J Jiménez-Luna

|Jun 07, 2022

QMugs, quantum mechanical properties of drug-like molecules.

Clemens Isert, Kenneth Atz, José Jiménez-Luna

|Apr 26, 2022

Δ-Quantum machine-learning for medicinal chemistry.

Kenneth Atz, Clemens Isert, Markus N A Böcker

|Jan 12, 2022

Benchmarking Molecular Feature Attribution Methods with Activity Cliffs.

José Jiménez-Luna, Miha Skalic, Nils Weskamp

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Frequent Collaborators

3 joint publications

Gianni De Fabritiis

2 joint publications

Francesca Grisoni

2 joint publications

Miha Škalič

2 joint publications

Gisbert Schneider

2 joint publications

Kenneth Atz

1 joint publications

R Özçelik

1 joint publications

D van Tilborg

1 joint publications

Gerard Martínez-Rosell

1 joint publications

Laura Pérez-Benito

1 joint publications

Gary Tresadern

Frequent Collaborators

3 joint publications

Gianni De Fabritiis

2 joint publications

Francesca Grisoni

2 joint publications

Miha Škalič

2 joint publications

Gisbert Schneider

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