Chemiscope deployment as a Materials Cloud tool

Used in the Materials Cloud Archive integration.

deployed through cloudflare-pages https://chemiscope.materialscloud.io/ under the materialscloud developers cloudflare account.

development urls can be found on: branchname.

branchname.chemiscope-materials-cloud.pages.dev
commit-hash.chemiscope-materials-cloud.pages.dev

Updating the dataset index

The index is generated by querying the Materials Cloud Archive:

node scripts/update-chemiscope-index.mjs

This writes public/chemiscope-datasets.json (with preformatted file sizes), which should be committed and deployed.

A GH CI/CD pipeline automatically runs this once a day and commits a change if the resulting index has changed.

Development

pnpm install
pnpm run dev

http://localhost:5173

npm run build
npm run preview

Updating chemiscope

chemiscope is a UMD JS build which is slightly awkward to use, therefore the chemiscope bundle has been vendored public/vendor. This could be significantly improved with probably little work.

Additionally:

• src/streaming.ts is a copy of the chemiscope webapp's app/streaming.ts (BSD-3-Clause) with its type-only import removed.