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Reproducible Molecular Simulations with Python

PyCon US via YouTube

Overview

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Explore the field of molecular dynamics simulations and its challenges in this 31-minute PyCon US talk. Discover how Python's scientific ecosystem is advancing research in the area, particularly as Machine Learning and AI methods revolutionize the field. Learn about the features of Python that are enhancing molecular dynamics simulations, with a focus on OpenMM and its ecosystem, including openmmtools and perses. Gain insights into reproducible molecular simulations and their applications in scientific research.

Syllabus

Talks - Iván Pulido: Reproducible molecular simulations with Python

Taught by

PyCon US

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