activity
20172023
most citedStructure-based Drug Design with Equivariant Diffusion Models

101 citations · 249 across the 7 of their papers we have counts for

collaborators

8 papers

cs.CV2023★ 3 cited

A Feature Reuse Framework with Texture-adaptive Aggregation for Reference-based Super-Resolution

Xiaoyong Mei, Yi Yang, Ming Li +3

Reference-based super-resolution (RefSR) has gained considerable success in the field of super-resolution with the addition of high-resolution reference images to reconstruct low-r…

q-bio.BM2022★ 101 cited

Structure-based Drug Design with Equivariant Diffusion Models

Arne Schneuing, Charles Harris, Yuanqi Du +10

Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods lev…

cs.LG2021

Approximate Latent Force Model Inference

Jacob D. Moss, Felix L. Opolka, Bianca Dumitrascu +1

Physically-inspired latent force models offer an interpretable alternative to purely data driven tools for inference in dynamical systems. They carry the structure of differential…

cs.LG2021★ 78 cited

Logic Explained Networks

Gabriele Ciravegna, Pietro Barbiero, Francesco Giannini +4

The large and still increasing popularity of deep learning clashes with a major limit of neural network architectures, that consists in their lack of capability in providing human-…

cs.AI2021★ 65 cited

Entropy-based Logic Explanations of Neural Networks

Pietro Barbiero, Gabriele Ciravegna, Francesco Giannini +3

Explainable artificial intelligence has rapidly emerged since lawmakers have started requiring interpretable models for safety-critical domains. Concept-based neural networks have…

stat.ML2020

Graph representation forecasting of patient's medical conditions: towards a digital twin

Pietro Barbiero, Ramon Viñas Torné, Pietro Lió

Objective: Modern medicine needs to shift from a wait and react, curative discipline to a preventative, interdisciplinary science aiming at providing personalised, systemic and pre…

cs.CE2020★ 1 cited

The Computational Patient has Diabetes and a COVID

Pietro Barbiero, Pietro Lió

Medicine is moving from a curative discipline to a preventative discipline relying on personalised and precise treatment plans. The complex and multi level pathophysiological patte…

q-bio.CB2017★ 1 cited

Modelling the order of driver mutations and metabolic mutations as structures in cancer dynamics

Gianluca Ascolani, Pietro Lió

Recent works have stressed the important role that random mutations have in the development of cancer phenotype. We challenge this current view by means of bioinformatic data analy…