Installation
pip install faenet
⚠️ The above installation requires:
Python >= 3.8
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.