Installation

pip install faenet

⚠️ The above installation requires:

• Python >= 3.8

• torch > 1.11

• torch_geometric > 2.1 (to the best of our knowledge).

Indeed, because of CUDA/torch compatibilities, neither torch nor torch_geometric are part of the explicit dependencies and must be installed independently. The rest of the dependencies, such as the mendeleev package to derive physics-aware atom embeddings, are installed automatically with faenet.