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Python for Scientific Computing

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TLDR
Python is an excellent "steering" language for scientific codes written in other languages, but with additional basic tools, it transforms into a high-level language suited for scientific and engineering code that's often fastenough to be immediately useful but also flexible enough to be sped up with additional extensions.
Abstract
Python is an excellent "steering" language for scientific codes written in other languages. However, with additional basic tools, Python transforms into a high-level language suited for scientific and engineering code that's often fast enough to be immediately useful but also flexible enough to be sped up with additional extensions.

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Hybrid Scheduling in the DeVIDE Dataflow Visualisation Environment.

TL;DR: This paper presents the recently opensourced dataflow application builder, called DeVIDE, for the rapid prototyping of medical visualisation and image processing techniques, which differentiates itself from similar environments by implementing a hybrid scheduling approach that adaptively applies demandand event-driven scheduling to a single network.
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Convex Potential Flows: Universal Probability Distributions with Optimal Transport and Convex Optimization

TL;DR: This paper introduces Convex Potential Flows (CP-Flow), a natural and efficient parameterization of invertible models inspired by the optimal transport (OT) theory, and proves that CP-Flows are universal density approximators and are optimal in the OT sense.
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Single-cell DNA replication profiling identifies spatiotemporal developmental dynamics of chromosome organization.

TL;DR: Single-cell DNA replication profiling shows that A/B compartments change coordinately with replication timing (RT) during mouse embryonic stem cell differentiation, with B to A changes preceding late to early RT changes and transcriptional activation.
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Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation

TL;DR: Detailed insight into how diffusion depends on protein-protein contacts is presented based on extensive all-atom molecular dynamics simulations of concentrated villin headpiece solutions, suggesting that transient cluster formation is a primary cause for a slow-down in diffusion upon crowding with other proteins.
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Atomistic simulations of the interaction of alloying elements with grain boundaries in Mg

TL;DR: In this paper, a model for the solute-GB binding energy is developed which accurately captures the behavior of the technologically important rare earth (RE) elements with Mg alloys and Ca. The predicted trends are found to be in qualitative agreement with available experimental data for GB segregation in Mg.
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Numerical Python

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