dengzeyu/pytorch repository overview

PyTorch + MACE with the support of CUDA and CuEquivariance.

Installed packages:

• git+https://github.com/ACEsuit/mace.git@9e223a1⁠
• pymatgen
• cuequivariance-ops-torch-cu12
• cuequivariance-torch
• ase
• openequivariance
• janus-core
• git+https://github.com/ChengUCB/les.git⁠
• airss
• nequip-allegro
• nequip
• chgnet

airss has been added after 0.3.13
cuequivariance, janus-core, les, chgnet, nequip, nequip-allegro have been added after 0.3.14