Installation

Requires Python 3.9+.

pip install atombench            # metrics, figures, tables
pip install 'atombench[submit]'  # adds leaderboard submission (requests, jarvis-tools)

Submitting also needs git on your PATH and a GitHub token in GITHUB_TOKEN (or GH_TOKEN) — see the tutorial.

From source

Install an editable copy to modify AtomBench or track the latest development version.

git clone git@github.com:atomgptlab/atombench.git
cd atombench
pip install -e '.[submit]'

Verify

Confirm the install worked and the command-line tools are on your PATH.

atombench -h
atombench-submit -h