Installation¶

Requirements¶

Minimal install directly from GitHub:

pip install "agedi @ git+https://github.com/nronne/agedi.git"

This installs the core package only. For the current release, training and sampling require the PaiNN backend, which depends on SchNetPack.

Install with full model dependencies (required for training/sampling) directly from GitHub:

pip install "agedi[full] @ git+https://github.com/nronne/agedi.git"

Clone from GitHub

git clone https://github.com/nronne/agedi.git

cd agedi

pip install -e ".[full]"

agedi --help

and

python -c "import agedi; print(agedi.__all__)"