Diallo, Bakary N'tji

3 publications

ICLRW 2025 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

ICLRW 2024 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

ICLRW 2024 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