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drug-discovery

September 1, 2023

Molecules Binding #1: An introduction to Drug Discovery

In this series of blog posts we will explore a specific case of the use of AI in the pharmaceutical industry - using Graph Neural Networks for predicting binding affinity. But for now, let’s start by understanding the problem of drug discovery and some fundamental concepts like binding affinity.

Sofia Guerreiro

Cristiana Carpinteiro

Benchmarking sparse eigensolvers image banner

January 2, 2023

Benchmarking sparse eigensolvers on CPU and GPU

Do GPUs solve sparse eigenproblems faster than CPUs? In this post, we answer this question by comparing the SciPy and CuPy eigensolvers.

Fábio Cruz

Maria Castro

Luís Sarmento

David Carvalho