Pinned Repositories
maize
A graph-based workflow manager for computational chemistry pipelines
plumed2
Development version of plumed 2
anderson.vim
Dark vim colorscheme based on colors from Wes Anderson films
deeptime
Fork of the original vampnet with compatibility for tensorflow 2.*
metad-course
Material for a practical course on Metadynamics and Metainference for the University of Padua
pepper.py
PEPtide PERmuter
plumology
Plumology - Tools to analyse biased molecular dynamics simulations
sketchmap-python
A Sketchmap implementation in python, with OpenCL/CUDA compatible kernels
tinymd
Very simple and primitive molecular dynamics simulation in rust
tinywm-ocaml
tinywm for X11 implemented in ocaml
tlhr's Repositories
tlhr/anderson.vim
Dark vim colorscheme based on colors from Wes Anderson films
tlhr/plumology
Plumology - Tools to analyse biased molecular dynamics simulations
tlhr/tinymd
Very simple and primitive molecular dynamics simulation in rust
tlhr/sketchmap-python
A Sketchmap implementation in python, with OpenCL/CUDA compatible kernels
tlhr/deeptime
Fork of the original vampnet with compatibility for tensorflow 2.*
tlhr/metad-course
Material for a practical course on Metadynamics and Metainference for the University of Padua
tlhr/pepper.py
PEPtide PERmuter
tlhr/tinywm-ocaml
tinywm for X11 implemented in ocaml
tlhr/dots
Personal dotfiles
tlhr/GAAMP_Development
tlhr/gromacs
Gromacs fork with distance dependent dielectric kernels
tlhr/IndustryBenchmarks2024
Repository for the 2024 OpenFE industry benchmark efforts
tlhr/kitchensink
tlhr/openfe
The Open Free Energy toolkit
tlhr/plumed2
Development version of plumed 2
tlhr/pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
tlhr/seaborn
Fork of seaborn with weighted violinplots hacked in