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.