Didi, Kieran

MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery

Siebenmorgen, T., Menezes, F., Benassou, S., Merdivan, E., Didi, K., Mourão, A. S. D., Kitel, R., Liò, P., Kesselheim, S., Piraud, M., et al. (2024) · Nature Computational Science

Computational Drug Discovery MethodsProtein Structure and Dynamics

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GPU-accelerated homology search with MMseqs2

Kallenborn, F., Chacon, A., Hundt, C., Sirelkhatim, H., Didi, K., Cha, S., Dallago, C., Mirdita, M., Schmidt, B., & Steinegger, M. (2024) · Nature Methods

Protein Structure and DynamicsParallel Computing and Optimization Techniques

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