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4 changes: 4 additions & 0 deletions .github/workflows/gh-pages.yml
Original file line number Diff line number Diff line change
Expand Up @@ -21,3 +21,7 @@ jobs:
working-directory: site
pre-build: |
uv run --with-editable .. ../scripts/make_api_docs.py
git clone --depth 1 https://github.com/janosh/matterviz.git ../matterviz
(cd ../matterviz && deno install && deno run -A npm:@sveltejs/kit sync && deno task package)
rm -rf node_modules/.deno/matterviz* node_modules/matterviz
ln -s ../../matterviz node_modules/matterviz
6 changes: 6 additions & 0 deletions .github/workflows/test.yml
Original file line number Diff line number Diff line change
Expand Up @@ -41,6 +41,12 @@ jobs:
working-directory: site
test-cmd: npx vitest run
deno-version: 2.3.7 # https://github.com/denoland/deno/issues/29968
install-cmd: |
git clone --depth 1 https://github.com/janosh/matterviz.git ../matterviz
(cd ../matterviz && deno install && deno run -A npm:@sveltejs/kit sync && deno task package)
deno install
rm -rf node_modules/.deno/matterviz* node_modules/matterviz
ln -s ../../matterviz node_modules/matterviz

scripts:
runs-on: ubuntu-latest
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4 changes: 3 additions & 1 deletion data/wbm/readme.md
Original file line number Diff line number Diff line change
@@ -1,3 +1,5 @@
<!-- markdownlint-disable MD051 -->

# WBM Dataset

[The **WBM dataset**](/data/wbm) was published in [Predicting stable crystalline compounds using chemical similarity][wbm paper] (nat comp mat, Jan 2021). The authors generated 257,487 structures through single-element substitutions on Materials Project (MP) source structures. The replacement element was chosen based on chemical similarity determined by a matrix data-mined from the [Inorganic Crystal Structure Database (ICSD)](https://icsd.products.fiz-karlsruhe.de).
Expand All @@ -16,7 +18,7 @@ Each iteration has varying numbers of materials which are counted by the 2nd int

## 🪓 &thinsp; Data Processing Steps

The full set of processing steps used to curate the WBM test set from the raw data files (downloaded from [URLs listed below](#--links-to-wbm-files)) can be found in [`data/wbm/compile_wbm_test_set.py`](https://github.com/janosh/matbench-discovery/blob/-/data/wbm/compile_wbm_test_set.py). Processing steps taken:
The full set of processing steps used to curate the WBM test set from the raw data files (downloaded from [URLs listed below](#links-to-wbm-files)) can be found in [`data/wbm/compile_wbm_test_set.py`](https://github.com/janosh/matbench-discovery/blob/-/data/wbm/compile_wbm_test_set.py). Processing steps taken:

- re-format material IDs: `step_1-0->wbm-1-1`, `step_1-1->wbm-1-2`, ...
- correctly align initial structures to DFT-relaxed [`ComputedStructureEntries`](https://github.com/materialsproject/pymatgen/blob/02a4ca8aa/pymatgen/entries/computed_entries.py#L536) (the initial structure files had 6 extra structures inserted towards the end of step 3 which had no corresponding IDs in the summary file)
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12 changes: 5 additions & 7 deletions site/package.json
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Expand Up @@ -22,38 +22,36 @@
"@rollup/plugin-yaml": "^4.1.2",
"@stylistic/eslint-plugin": "^5.7.0",
"@sveltejs/adapter-static": "^3.0.10",
"@sveltejs/kit": "^2.49.4",
"@sveltejs/kit": "^2.50.0",
"@sveltejs/vite-plugin-svelte": "^6.2.4",
"@types/d3-array": "^3.2.2",
"@types/d3-scale": "^4.0.9",
"@types/d3-scale-chromatic": "^3.1.0",
"@types/js-yaml": "^4.0.9",
"@types/json-schema": "^7.0.15",
"@types/node": "^25.0.8",
"@types/node": "^25.0.9",
"@vitest/coverage-v8": "^4.0.17",
"d3-array": "^3.2.4",
"d3-scale": "^4.0.2",
"d3-scale-chromatic": "^3.1.0",
"eslint": "^9.39.2",
"eslint-plugin-svelte": "^3.14.0",
"happy-dom": "^20.3.0",
"happy-dom": "^20.3.3",
"hastscript": "^9.0.1",
"iconify-icon": "^3.0.2",
"js-yaml": "^4.1.1",
"json-schema-to-typescript": "^15.0.4",
"katex": "^0.16.27",
"matterviz": "^0.2.2",
"mdsvex": "^0.12.6",
"rehype-autolink-headings": "^7.1.0",
"rehype-katex-svelte": "^1.2.0",
"rehype-slug": "^6.0.0",
"rehype-stringify": "^10.0.1",
"remark-math": "3.0.1",
"remark-parse": "^11.0.0",
"remark-rehype": "^11.1.2",
"svelte": "^5.46.3",
"svelte": "^5.47.0",
"svelte-check": "^4.3.5",
"svelte-multiselect": "^11.5.1",
"svelte-multiselect": "^11.5.2",
"svelte-preprocess": "^6.0.3",
"svelte-toc": "^0.6.2",
"svelte2tsx": "^0.7.46",
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5 changes: 4 additions & 1 deletion site/src/app.css
Original file line number Diff line number Diff line change
Expand Up @@ -242,10 +242,13 @@ blockquote > :is(:first-child, :last-child) {
scroll-margin-top: 50px;
transition: 0.3s;
}
:where(h1, h2, h3, h4, h5, h6):target {
color: var(--accent-color, cornflowerblue);
}
:where(h2, h3, h4, h5, h6).toc-clicked {
color: var(--link-hover);
}
/* style heading anchors added by rehype-autolink-headings, see svelte.config.js */
/* style heading anchors added by heading_anchors attachment from svelte-multiselect */
:where(h2, h3, h4, h5, h6, strong) a[aria-hidden='true'] {
transition: 0.3s;
margin-left: 4pt;
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