Installation

Lightweight install

Just the evaluator — minimal dependencies:

pip install git+https://github.com/theAfish/AtomWorldBench.git

Full toolkit

CLI, inference, data generation, plotting, etc.:

pip install "atomworld[all] @ git+https://github.com/theAfish/AtomWorldBench.git"

Development install

git clone https://github.com/theAfish/AtomWorldBench.git
cd AtomWorldBench
pip install -e ".[dev]"

Optional dependency groups

Extra	What it adds
[benchmark]	openai, pandas, h5py, tqdm, pyyaml
[datagen]	ase, mp-api, scipy, pandas
[models]	transformers, sentencepiece, torch
[all]	All of the above + ray
[dev]	[all] + pytest