Marco Capuccini

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Increasing size of datasets is challenging for machine learning, and Big Data frameworks, such as Apache Spark, have shown promise for facilitating model building on distributed resources. Conformal prediction is a mathematical framework that allows to assign valid confidence levels to object-specific predictions. This contrasts to current best-practices(More)
BACKGROUND Structure-based virtual screening is an in-silico method to screen a target receptor against a virtual molecular library. Applying docking-based screening to large molecular libraries can be computationally expensive, however it constitutes a trivially parallelizable task. Most of the available parallel implementations are based on message(More)
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