Marcus Wieder's repositories
pkasolver-data
Data repository for pkasolver
endstate_correction
Endstate corrections from MM to QML potential
learning-free-energies
Data repository for the manuscript `Teaching free energy calculations to learn from experimental data`
transformato-systems
CHARMM-GUI systems for solvation free energy
endstate_corrections_data
Contains the original data and notebooks to reproduce the work published in [placeholder-doi]
ghost_parameters
Transforms a topology and parameter with dummy atoms in such a way that the dummy group does not influence the geometry of the real atoms
Language:Rich Text FormatMIT000
sublime_sphinx_guide
Sublime and Sphinx Guide
Language:Python000
tf_routes
Mutation Routes for Transformato
Language:Jupyter NotebookMIT000
wiederm.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
Language:JavaScriptMIT000