Christoph Brunken

Researcher, BioAI, InstaDeep

Joined

February 2024

Names

Christoph Brunken (Preferred)

Emails

****@instadeep.com (Confirmed)

Personal Links

Career & Education History

Researcher

BioAI, InstaDeep (instadeep.com)

2023 – Present

Advisors, Relations & Conflicts

No relations added

Expertise

No areas of expertise listed

Publications

MLIPAudit: A benchmarking tool for Machine Learned Interatomic Potentials
Leon Wehrhan, Lucien Walewski, Marie Bluntzer, Heloise Chomet, Christoph Brunken, Jules Tilly, Silvia Acosta-Gutierrez
- NeurIPS2025-AI4Science Poster
- Readers: Everyone
MLIPAudit: A benchmarking tool for Machine Learned Interatomic Potentials
Leon Wehrhan, Lucien Walewski, Marie Bluntzer, Heloise Chomet, Christoph Brunken, Jules Tilly, Silvia Acosta-Gutierrez
- AI4Mat-NeurIPS-2025 Poster
- Readers: Everyone
Machine Learning Interatomic Potentials: library for efficient training, model development and simulation of molecular systems
Christoph Brunken, Olivier Peltre, Heloise Chomet, Lucien Walewski, Manus McAuliffe, Valentin Heyraud, Solal Attias, Martin Maarand, Yessine Khanfir, Edan Toledo, Fabio Falcioni, Marie Bluntzer, Silvia Acosta-Gutierrez, Jules Tilly
- AI4Mat-NeurIPS-2025 Poster
- Readers: Everyone
Machine Learning Interatomic Potentials: library for efficient training, model development and simulation of molecular systems
Christoph Brunken, Olivier Peltre, Heloise Chomet, Lucien Walewski, Manus McAuliffe, Valentin Heyraud, Solal Attias, Martin Maarand, Yessine Khanfir, Edan Toledo, Fabio Falcioni, Marie Bluntzer, Silvia Acosta-Gutierrez, Jules Tilly
- NeurIPS2025-AI4Science Poster
- Readers: Everyone
Universally Applicable And Tunable Graph-Based Coarse-Graining For Machine Learning Force Fields
Christoph Brunken, Sebastien Boyer, Mustafa Omar, Martin Maarand, Olivier Peltre, Solal Attias, Bakary N'tji Diallo, Anastasia Markina, Olaf Othersen, Oliver Bent
- ICLR 2025 Workshop LMRL
- Readers: Everyone
Universally Applicable And Tunable Graph-Based Coarse-Graining For Machine Learning Force Fields
Christoph Brunken, Sebastien Boyer, Mustafa Omar, Martin Maarand, Olivier Peltre, Solal Attias, Bakary N'tji Diallo, Anastasia Markina, Oliver Bent
- Submitted to ICLR 2025
- Readers: Everyone
Machine learning of force fields towards molecular dynamics simulations of proteins at DFT accuracy
Christoph Brunken, Sebastien Boyer, Mustafa Omar, Bakary N'tji Diallo, Karim Beguir, Nicolas Lopez Carranza, Oliver Bent
- GEM Poster
- Readers: Everyone
Protein binding affinity prediction under multiple substitutions applying eGNNs on residue and atomic graphs combined with language model information: eGRAL
Arturo Fiorellini-Bernardis, Sebastien Boyer, Christoph Brunken, Bakary N'tji Diallo, Karim Beguir, Nicolas Lopez Carranza, Oliver Bent
- GEM Poster
- Readers: Everyone