omidshy
Ph.D. candidate in computational chemistry. Interested in quantum chemistry, molecular simulations and machine learning.
Leipzig, Germany
Pinned Repositories
ComplexMixtures.jl
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions
allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
aMD
A collection of Python codes to calculate physical properties from molecular dynamics simulations.
omidshy's Repositories
omidshy/aMD
A collection of Python codes to calculate physical properties from molecular dynamics simulations.