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Blog

Where I write my thoughts on topics related to AI for chemistry.

The posts are normally very short, some of them in a few parts.

URL: https://santi-mir.github.io/blog_ai4chem.

Build

The repo contains the built html-book in ./docs, it makes publishing faster than using actions.

The packages needed for building from the source markdown files are:

cargo install mdbook mdbook-mermaid mdbook-katex

Development

Besides the build-apps, install:

cargo install lychee rumdl caesiumclt

It's useful to have a pre-commit git hook

#!/bin/env bash
rumdl check
mdbook build

And pre-push

#!/bin/env bash
lychee src || exit 1
caesiumclt --lossless -O bigger src/assets/*.{jpg,jpeg,png} --same-folder-as-input

Then do chmod +x .git/hooks/{pre-push,pre-commit}

License

All the content here is under CC BY 4.0, except for quotations which may share the license of the source.

Contributions

Contributions are taken under the same license, CC BY 4.0.

Tools Used

  • mdbook: a Rust crate to render html from markdown.
  • mermaid: NPM package to draw basic charts.

About

Notes on topics like XAI, AI, AI for chemistry.

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