Beast code in Giters

Jérôme Hénin's repositories

Enhanced sampling methods for molecular dynamics simulations

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Fast PBC wrapping and unwrapping for VMD

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A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD

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A development branch of the VMD plugin to analyze NAMD's free energy calculations

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Collected VMD scripts for trajectory manipulation and analysis

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VMD plugin to calculate and visualize clusters of conformations for a trajectory

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An X-PLOR PSF post-processor for alchemical free energy calculations in NAMD

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the simple alchemistry library

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the simple alchemistry test set

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A set of regression tests for NAMD

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Vector-based pocket calculator for Tcl.

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OpenMM is a toolkit for molecular simulation using high performance GPU code.

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High-performance python implementation of optLE

Language:Jupyter NotebookGPL-3.0000

Play tones through an LCD monitor from a web page using an electronics quirk in some displays.

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A diff tool that highlights changes at the token (rather than line) level

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