All Git Users → mir-group

4 open source projects by mir-group

[ Open user page on Github ]

An open-source Python package for creating fast and accurate interatomic potentials.

✭ 87

A many-body extension of the FLARE code.

✭ 19

C++python CMake

A high-performance framework for solving phonon and electron Boltzmann equations

✭ 33

C++python gpu physics electron-phonon materials-science kokkos

NequIP is a code for building E(3)-equivariant interatomic potentials

✭ 312

python machine-learning deep-learning molecular-dynamics pytorch computational-chemistry drug-discovery materials-science atomistic-simulations force-fields interatomic-potentials

1-4 of 4 user projects