Projects
Generating Highly Designable Proteins with Geometric Algebra Flow Matching
Generating structurally diverse and physically realizable protein backbones remains one of the grand challenges in protein design. We propose a generative …
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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 …
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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 …
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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 …
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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 …
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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 …
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Emulation in simulation
“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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DeepCurate
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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