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janosh / matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.
https://matbench-discovery.materialsproject.org
MIT License
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Mismatching fingerprint paths #67

Closed pbenner closed 11 months ago

pbenner commented 11 months ago

It seems that fetch_process_wbm_dataset.py and compute_struct_fingerprints.py expect different fingerprint paths:

> python fetch_process_wbm_dataset.py
[...]
fingerprints_path='[...]/data/wbm/site-stats.json.gz' not found, run scripts/compute_struct_fingerprints.py to generate
> python compute_struct_fingerprints.py
Loading 'wbm_summary' from cached file at '~/.cache/matbench-discovery/1.0.0/wbm/2022-10-19-wbm-summary.csv.gz'
out_path='~/.local/opt/anaconda3/envs/discovery/lib/python3.10/site-packages/data/wbm/site-stats-000.json.gz' already exists, exciting early
pbenner commented 11 months ago

Sorry, it's resolved when you use the editable install. See

https://github.com/janosh/matbench-discovery/issues/25