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 …

CompIF: 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 …

Organic 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 …

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 …

Does 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 …

Emulation in simulation

“Emulation in simulation” combines HITS’ expertise in computational statistics and numerical simulation to develop a new generation of surrogate model tools. …

DeepCurate

DeepCurate is a project using machine learning to transfer life science research results from the specialist literature into a structured, machine-readable …