A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
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Updated
Nov 18, 2024 - Python
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Quick WAF "paranoid" Doctor Evaluation | WAFPARAN01D3 Tool
i3dhub-github-integration is a full example for visualizing 3D data that is stored in a private repository on GitHub. The example also includes a React app to demonstrate how to pass authorization data to the data backend.
Example: how to use resource API to pre-load models and check the transcoding status
Numpy implementation of different numerical integrators used to propagate classical dynamics.
iCompare, a comparison package for integrators used in the Solar System Dynamics community
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