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Rough solution to recreating plots for unique proto set #88

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merged 14 commits into from
Feb 7, 2024

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CompRhys
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@CompRhys CompRhys commented Feb 7, 2024

Checked all the plots when using unique proto subset, nothing stands out as different but attention to detail. The way i've done this is very hammer and nails I think that a cleaner global parameter or something could maybe work better.

Base automatically changed from fix-v-plots to main February 7, 2024 09:40
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@janosh janosh left a comment

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thanks! 👍 refactored to what i hope is slightly more extensible

from matbench_discovery.enums import Key, TestSubset
from matbench_discovery.plots import cumulative_metrics
from matbench_discovery.preds import df_each_pred, df_preds, model_styles, models

test_subset = globals().get("test_subset", TestSubset.full)

if test_subset == TestSubset.uniq_protos:
    df_preds = df_preds.query(Key.uniq_proto)

and also controllable via init_globals in

runpy.run_path(file, init_globals={"which_energy": which_energy})

@janosh janosh merged commit a4f8e30 into main Feb 7, 2024
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@janosh janosh deleted the unique-proto-plots branch February 7, 2024 12:22
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2 participants