Pinned Repositories
deft
classical density-functional theory
gromacs
Public/backup repository of the gromacs molecular simulation toolkit
illinois
THW Chapter at U. Illinois
lammps
Public/backup repository of the lammps source
tensorflow
Computation using data flow graphs for scalable machine learning
tnt
Simple tools for logging and visualizing, loading and training
tramonto
Tramonto is a parallel code developed at Sandia National Laboratories. It's homepage is https://software.sandia.gov/tramonto/index.html). Tramonto implements the fluid (calssical) density functional theory to predict the structure and properties of fluids at the nanoscale near surfaces and macromolecules.
water_molecular_simulation
a repository for input configuration and parameter files for carrying out molecular simulations of water by different MD tools, such as GROMACS, NAMD, LAMMPS, etc.
csg
Coarse-graining potentials from atomistic references made easy
csg-tutorials
VOTCA-CSG coarse-graining tutorials
symashayak's Repositories
symashayak/water_molecular_simulation
a repository for input configuration and parameter files for carrying out molecular simulations of water by different MD tools, such as GROMACS, NAMD, LAMMPS, etc.
symashayak/tramonto
Tramonto is a parallel code developed at Sandia National Laboratories. It's homepage is https://software.sandia.gov/tramonto/index.html). Tramonto implements the fluid (calssical) density functional theory to predict the structure and properties of fluids at the nanoscale near surfaces and macromolecules.
symashayak/deft
classical density-functional theory
symashayak/gromacs
Public/backup repository of the gromacs molecular simulation toolkit
symashayak/illinois
THW Chapter at U. Illinois
symashayak/lammps
Public/backup repository of the lammps source
symashayak/tensorflow
Computation using data flow graphs for scalable machine learning
symashayak/tnt
Simple tools for logging and visualizing, loading and training
symashayak/try_git