In this tutorial, we use GlowScript VPython to build a dipole electric field simulation step by step. Learn how to model charges, compute field vectors, and create an interactive visualization that ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. A complete ...
Abstract: DeepMD-kit enables deep learning-based molecular dynamics (MD) simulations that require efficient parallelization to leverage modern HPC architectures. In this work, we optimize DeepMD-kit ...
Revised: This Reviewed Preprint has been revised by the authors in response to the previous round of peer review; the eLife assessment and the public reviews have been updated where necessary by the ...
Researchers present BioEmu – a new AI model that rapidly and accurately predicts the full range of shapes a protein can adopt, offering a faster, cheaper alternative to traditional molecular ...
Abstract: This tutorial focuses on loosely-timed full systems simulation (Virtual Prototyping) that is widely adopted in industry for software development and verification use cases due to its ...
The success of a molecular dynamics simulation depends on the accuracy of the force field used to define the atomic interactions. It is challenging to train both classical and modern machine-learning ...
The materials have been made available under an MIT license. The materials are as-is with no liability for the author. Please provide credit if you reuse the code in your own work. All dependencies ...
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