HITS Lab Group
HITS Lab

Projects

Diffusion models for protein design

6. May 2024

Generative deep learning has transformed protein design, enabling the creation of new protein structures, interactions, and functions with high precision, by …

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CompIF: Efficient computation of intermolecular forces for biomolecular simulations

31. October 2023

Molecular simulations enable the structure, dynamics, and interactions of biomolecules to be explored in detail. Trajectories (or movies) of the evolution …

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Organic Materials by Geometrical Design

1. March 2023

Many functional organic materials are ordered periodic systems that can be classified according to their symmetry group, tessellation class, etc.In …

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Emulation in simulation

1. June 2021

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

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Past Projects

Geometry and Representation Learning

29. June 2021

In recent years, interest in hyperbolic geometry has grown in the fields of data science and machine learning for representation learning …

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Does the quality of writing influence the impact of scientific papers?

1. June 2021

The importance and quality of a new discovery presented in a scientific article is often evaluated by the number of its …

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DeepCurate

1. June 2021

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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