Pinned Repositories
md_tools
Post-processing tools for computing several glass properties from the results of molecular dynamics simulations
machine_learning
Showcasing machine learning projects
imd
The ITAP Molecular Dynamics Program
lammps
Public development project of the LAMMPS MD software package
allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
allegro-legato
Robust NN MD simulator
atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
flare
An open-source Python package for creating fast and accurate interatomic potentials.
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
OPTIMADE
Specification of a common REST API for access to materials databases
sudheerganisetti's Repositories
sudheerganisetti/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
sudheerganisetti/flare
An open-source Python package for creating fast and accurate interatomic potentials.
sudheerganisetti/allegro-legato
Robust NN MD simulator
sudheerganisetti/allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
sudheerganisetti/sudheerganisetti.github.io
sudheerganisetti/OPTIMADE
Specification of a common REST API for access to materials databases
sudheerganisetti/machine_learning
Showcasing machine learning projects
sudheerganisetti/md_tools
Post-processing tools for computing several glass properties from the results of molecular dynamics simulations
sudheerganisetti/atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
sudheerganisetti/lammps
Public development project of the LAMMPS MD software package
sudheerganisetti/imd
The ITAP Molecular Dynamics Program
sudheerganisetti/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org