Pinned Repositories
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
in-silico-microscopy
This open-source software package allows in-silico microscopy of molecular simulations such as molecular dynamics, monte carlo, etc.
Insane
INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
Martini_PEI_ff
Automated coarse-graining of polyethylenimine with any branched architecture and protonation state.
Monte-Carlo
NPanalysis
Analyze two-component nanoparticle properties for classical molecular dynamics simulations
PFAS_Rejection_PMF
MD simulation files for calculating PFAS rejection
Polyamide_Membrane_Simulations
shields
Concise, consistent, and legible badges in SVG and raster format
subhamoymahajan's Repositories
subhamoymahajan/Martini_PEI_ff
Automated coarse-graining of polyethylenimine with any branched architecture and protonation state.
subhamoymahajan/in-silico-microscopy
This open-source software package allows in-silico microscopy of molecular simulations such as molecular dynamics, monte carlo, etc.
subhamoymahajan/Insane
INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
subhamoymahajan/Monte-Carlo
subhamoymahajan/NPanalysis
Analyze two-component nanoparticle properties for classical molecular dynamics simulations
subhamoymahajan/PFAS_Rejection_PMF
MD simulation files for calculating PFAS rejection
subhamoymahajan/Polyamide_Membrane_Simulations
subhamoymahajan/shields
Concise, consistent, and legible badges in SVG and raster format