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Sikandar Y. Mashayak's Projects

deft icon deft

classical density-functional theory

gromacs icon gromacs

Public/backup repository of the gromacs molecular simulation toolkit

lammps icon lammps

Public/backup repository of the lammps source

tensorflow icon tensorflow

Computation using data flow graphs for scalable machine learning

tnt icon tnt

Simple tools for logging and visualizing, loading and training

tramonto icon 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 icon 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.

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