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Thomas Löhr's Projects

anderson.vim icon anderson.vim

Dark vim colorscheme based on colors from Wes Anderson films

deeptime icon deeptime

Fork of the original vampnet with compatibility for tensorflow 2.*

gromacs icon gromacs

Gromacs fork with distance dependent dielectric kernels

metad-course icon metad-course

Material for a practical course on Metadynamics and Metainference for the University of Padua

plumology icon plumology

Plumology - Tools to analyse biased molecular dynamics simulations

pmx icon pmx

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

seaborn icon seaborn

Fork of seaborn with weighted violinplots hacked in

sketchmap-python icon sketchmap-python

A Sketchmap implementation in python, with OpenCL/CUDA compatible kernels

tinymd icon tinymd

Very simple and primitive molecular dynamics simulation in rust

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