fix copy-paste error of trained_by section in gnome.yml

rename figs/roc-models(-all-in-one -> '').svelte

Author: janosh

.pre-commit-config.yaml

@@ -56,7 +56,7 @@ repos:
         exclude: ^(site/src/figs/.+\.svelte|data/wbm/20.+\..+|site/src/(routes|figs).+\.(yaml|json)|changelog.md)$
 
   - repo: https://github.com/pre-commit/mirrors-eslint
-    rev: v9.0.0-alpha.2
+    rev: v9.0.0-beta.0
     hooks:
       - id: eslint
         types: [file]

models/gnome/gnome.yml

@@ -20,15 +20,6 @@ authors:
     affiliation: Google DeepMind
     email: [email protected]
     orcid: https://orcid.org/0000-0003-0524-2837
-trained_by:
-  - name: Philipp Benner
-    affiliation: German Federal Institute of Materials Research and Testing (BAM)
-    orcid: 0000-0002-0912-8137
-    github: https://github.com/pbenner
-  - name: Yuan Chiang
-    affiliation: Lawrence Berkeley National Laboratory
-    orcid: 0000-0002-4017-7084
-    github: https://github.com/chiang-yuan
 repo: https://github.com/google-deepmind/materials_discovery
 doi: https://doi.org/10.1038/s41586-023-06735-9
 paper: https://nature.com/articles/s41586-023-06735-9
@@ -65,4 +56,4 @@ hyperparams:
 notes:
   description: |
     GNoME is an equivariant Nequip-type graph neural network implemented in e3nn-jax.
-  training: Using pre-trained model released with paper. Training set unspecified at time of writing.
+  training: Using pre-trained model released with "Scaling deep learning for materials discovery" paper. Training set unpublished as of 2024-02-03. The model was trained 1.5 years prior to submission to Matbench Discovery according to private communication.

scripts/model_figs/roc_prc_curves_models.py

@@ -108,7 +108,7 @@
 fig.layout.margin.update(l=0, r=0, b=0, t=20, pad=0)
 fig.update_yaxes(matches=None)
 fig.show()
-img_name = f"roc-models-{f'{n_rows}x{n_cols}' if facet_plot else 'all-in-one'}"
+img_name = f"roc-models{f'-{n_rows}x{n_cols}' if facet_plot else ''}"
 
 
 # %%

site/src/figs/roc-models-all-in-one.svelte site/src/figs/roc-models.svelte

@@ -14,7 +14,8 @@
     {#each cite.authors as auth, idx}
       {#if idx > 0},
       {/if}
-      <a href={auth.github ?? auth.orcid}>{auth[`given-names`]} {auth[`family-names`]}</a
+      <a href={auth.github ?? `https://orcid.org/${auth.orcid}`}>
+        {auth[`given-names`]} {auth[`family-names`]}</a
       ><sup>{`${auth.affil_key}`.replaceAll(` `, ``)}</sup>
     {/each}
   </span>

site/src/routes/preprint/+layout.svelte

@@ -14,7 +14,7 @@
   import MetricsTable from '$figs/metrics-table.svelte'
   import MetricsTableFirst10k from '$figs/metrics-table-first-10k.svelte'
   import MetricsTableMegnetUipCombos from '$figs/metrics-table-uip-megnet-combos.svelte'
-  import RocModels from '$figs/roc-models-all-in-one.svelte'
+  import RocModels from '$figs/roc-models.svelte'
   import RollingMaeVsHullDistModels from '$figs/rolling-mae-vs-hull-dist-models.svelte'
   import RunTimeBars from '$figs/model-run-times-bar.svelte'
   import SpacegroupSunburstWbm from '$figs/spacegroup-sunburst-wbm.svelte'

site/src/routes/preprint/+page.md

@@ -942,9 +942,9 @@ references:
 
 - id: glawe_optimal_2016
   accessed:
-    - year: 2023
-      month: 7
-      day: 23
+    - year: 2022
+      month: 2
+      day: 9
   author:
     - family: Glawe
       given: Henning
@@ -971,7 +971,7 @@ references:
     The optimal one dimensional periodic table: a modified Pettifor chemical
     scale from data mining
   title-short: The optimal one dimensional periodic table
-  URL: https://dx.doi.org/10.1088/1367-2630/18/9/093011
+  URL: https://doi.org/10.1088/1367-2630/18/9/093011
   volume: '18'
 
 - id: goodall_predicting_2020