Mathematics is one of the oldest disciplines of study. For all its antiquity, however, it is a modern, rapidly growing field. Only 70 years ago, mathematics might have been said to consist of algebra, ...

The ATOM Modeling PipeLine (AMPL) extends the functionality of DeepChem and supports an array of machine learning and molecular featurization tools to predict key potency, safety and ...

Intrinsically disordered proteins (IDPs) participate in many biological processes by interacting with other proteins, including the regulation of transcription, translation, and the cell cycle. With ...

Jitterbug 2.0 is a modern, completely rewritten Python framework for detecting network congestion through jitter analysis and change point detection in Round-Trip Time (RTT) measurements. This ...

Department of Physics and Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom Laboratory of Computational Science and Modeling, IMX, ...

We provide an introduction to Gaussian process regression (GPR) machine-learning methods in computational materials science and chemistry. The focus of the present review is on the regression of ...