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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
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
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