Projects
Diffusion models for protein design
Generative deep learning has transformed protein design, enabling the creation of new protein structures, interactions, and functions with high precision, by …
Read moreCompIF: Efficient computation of intermolecular forces for biomolecular simulations
Molecular simulations enable the structure, dynamics, and interactions of biomolecules to be explored in detail. Trajectories (or movies) of the evolution …
Read moreOrganic Materials by Geometrical Design
Many functional organic materials are ordered periodic systems that can be classified according to their symmetry group, tessellation class, etc.In …
Read moreEmulation in simulation
“Emulation in simulation” combines HITS’ expertise in computational statistics and numerical simulation to develop a new generation of surrogate model tools. …
Read morePast Projects
Geometry and Representation Learning
In recent years, interest in hyperbolic geometry has grown in the fields of data science and machine learning for representation learning …
Read moreDoes the quality of writing influence the impact of scientific papers?
The importance and quality of a new discovery presented in a scientific article is often evaluated by the number of its …
Read moreDeepCurate
DeepCurate is a project using machine learning to transfer life science research results from the specialist literature into a structured, machine-readable …
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