Fill 3% missing MACE preds #90
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SI unfinished, few figures near the bottom need to have Svelte versions made (PDF only)
CompRhys
reviewed
Feb 9, 2024
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| n_total_pos = n_true_pos + n_false_neg | ||
| n_total_neg = n_true_neg + n_false_pos | ||
| # prevalence: dummy discovery rate of stable crystals by selecting randomly from | ||
| # all materials | ||
| prevalence = n_total_pos / len(each_true) | ||
| prevalence = n_total_pos / (n_total_pos + n_total_neg) |
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you may wish to revert this I'm not 100% sure whether the prevalence should adjust
# for free
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c5796d0 rerun MACE-MP medium to fill in 3% missing predictions from earlier failed slurm jobs
8663cdc fix uniq-proto DAF calculation
464490f update model stats
dc1aa55 add Bowen Deng to citation.cff
74163b1 update /preprint and references.yaml to match journal submission
591ab2a fix: errors in DAF due to prevalence being distorted by NaN
c2ebe94 fix: don't look at len when calculating prevalence
5481031 regen metrics-table*.svelte + model-stats*.json
62350b6 fix ruff: include counts in filling NaNs err msg