molPX: Molecular Projection Explorer
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molpx.visualize
molpx.generate
Example Jupyter Notebooks
Quick Intro with DiAla
molPX Di-Ala example
Repeat from memory
The
mpx_wdg_box
molPX and PyEMMA
molPX and TICA with BPTI
molPX and TICA with DiAla
molPX and Metadynamics with DiAla
About & YouTube Introduction
Installation Guide
Changelog
molPX: Molecular Projection Explorer
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Example Jupyter Notebooks
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Quick Intro with DiAla
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Quick Intro with DiAla
ΒΆ
molPX Di-Ala example
Start from files on disk
Visualize a FES and the molecular structures behind it
Visualize trajectories and molecular structures (and the FES, optionally)
Repeat from memory
The
mpx_wdg_box
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