Pinned Repositories
BGML
Automatic Prediction of Band Gaps of Inorganic Materials using Machine Learning
cif2cell-lammps
Codes_generalpurpose
gregchung.github.io
Chung Research Group
lammps-USER-CONP2
updated constant potential plugin for LAMMPS
lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
lammps_interface-1
A barebones interface for lammps
MMonCa
Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial growth
My_Website
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
mayank-agr's Repositories
mayank-agr/pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
mayank-agr/BGML
Automatic Prediction of Band Gaps of Inorganic Materials using Machine Learning
mayank-agr/cif2cell-lammps
mayank-agr/Codes_generalpurpose
mayank-agr/gregchung.github.io
Chung Research Group
mayank-agr/lammps-USER-CONP2
updated constant potential plugin for LAMMPS
mayank-agr/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
mayank-agr/lammps_interface-1
A barebones interface for lammps
mayank-agr/MMonCa
Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial growth
mayank-agr/My_Website
mayank-agr/openmmtools
Test systems for OpenMM
mayank-agr/PorousMaterials.jl
Julia package towards classical molecular modeling of nanoporous materials
mayank-agr/RASPA2
A general purpose classical simulation package.
mayank-agr/temp
mayank-agr/ThinkStats2
Text and supporting code for Think Stats, 2nd Edition