Update AlphaNet - #255
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thanks @zmyybc! i'll try to take a look tomorrow |
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ok |
- Corrected file paths in `enums.py` for `alphanet_mptrj` and `alphanet_oma`. - Updated `pred_file` paths in `alphanet-mptrj.yml` and `alphanet-oma.yml` to reflect new directory structure.
janosh
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Jul 31, 2026
* restore alphanet-mptrj.yml but set status: superseded * add AlphaNet-v1-OMA metrics and reupload pred files to own figshare - Corrected file paths in `enums.py` for `alphanet_mptrj` and `alphanet_oma`. - Updated `pred_file` paths in `alphanet-mptrj.yml` and `alphanet-oma.yml` to reflect new directory structure. * add e_form + e_hull energy parity plots and per-element e_hull errors * fix test_df_each_(pred|err) --------- Co-authored-by: Janosh Riebesell <janosh.riebesell@gmail.com>
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Description
Hi!
I am submitting 2 v1 AlphaNet models:
Appreciate your work again!
Checklist
Please check the following items before submitting your PR:
models/<arch_name>/<model_variant>.ymlfor my submission.arch_nameis the name of the architecture andmodel_variant.ymlincludes things like author details, training set names and important hyperparameters.Model.<arch_name>enum inenums.py.<yyyy-mm-dd>-<model_variant>-preds.csv.gz).<yyyy-mm-dd>-wbm-IS2RE-FIRE.jsonl.gz). JSON Lines allows fast loading of small numbers of structures withpandas.read_json(lines=True, nrows=100)for inspection.<yyyy-mm-dd>-kappa-103-FIRE-<values-of-dist|fmax|symprec>.gz).models/<arch_name>/<model_variant>.yml). If not using Figshare I have included the urls to the cloud storage service in the description of the PR.test_<arch_name>_<task>.pyfortaskindiscovery,kappa,diatomics) that generated the prediction files.Additional Information (Optional)
train_<arch_name>.py) if I trained a model specifically for this benchmark.readme.mdwith additional details about my model.