Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by mir-group
A curated list of projects in awesome lists by mir-group .
https://github.com/mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
atomistic-simulations computational-chemistry deep-learning drug-discovery force-fields interatomic-potentials machine-learning materials-science molecular-dynamics pytorch
Last synced: 02 Aug 2024
https://github.com/mir-group/flare
An open-source Python package for creating fast and accurate interatomic potentials.
Last synced: 02 Aug 2024
https://github.com/mir-group/pair_allegro
LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
gpu kokkos lammps machine-learning molecular-dynamics pytorch
Last synced: 02 Aug 2024