Skip to content

Command line

meidnet init            write a starter meidnet.yaml next to your data
meidnet check  CONFIG   is my data usable?            → check_report.html
meidnet train  CONFIG   learn the latent space        → model.pt, training_report.html
meidnet generate CONFIG design candidates             → CIFs, generation_report.html
meidnet studio [CONFIG] interactive workbench in your browser
meidnet space  CONFIG   every composition of the family with rule values and predictions → CSV
meidnet demo            quick demo with the published perovskite model
meidnet screen DIR      stability screening of CIFs with MACE (optional extra)
meidnet info MODEL      describe a checkpoint
meidnet families [NAME] list / describe material families
meidnet schema          JSON Schema of the config (for editors and the Studio)
meidnet download-data   fetch the Perov-5 dataset used in the paper

meidnet <command> --help lists the options. Useful ones:

init --template perov5 the paper's configuration instead of a blank one
train --epochs N override training.epochs
generate --quick few rounds and steps — a smoke test
generate --model PATH use another checkpoint
studio --export-static FILE.html self-contained Studio for a website
studio --port 8765 --no-open choose the port; do not open a browser
studio --public --host 0.0.0.0 host the Studio for other people: private session per visitor, capped budgets
studio --run-root DIR --docs-dir site where sessions and searches are written; serve a built docs site at /docs/
space --chemiscope FILE.json also write the design space as a 3D dataset for chemiscope.org
demo --family oxide --band-gap 3 --enthalpy -0.2 -n 5 demo targets

If meidnet is not on your PATH, python -m meidnet.cli … is equivalent.