omsf-directory

This site hosts a directory of software, workflows, and infrastructure for molecular software projects.

LLM-friendly catalogue

• /llms.txt indexes the machine-readable exports.
• /llms-full.txt contains every entry across all categories.
• /software/llms.txt, /workflows/llms.txt, and /infrastructure/llms.txt provide smaller category-specific exports.

These static Markdown exports are generated from the same validated YAML collections as the website. Workflows include the general, Open Force Field, Open Free Energy, and OpenADMET collections.

Validate the exports with npm run build and npx playwright test tests/ui/llms.pw.ts --project=local (API-only checks; no browser installation needed).

Adding a new project

You can directly add the YAML needed to the software, workflows, or infrastructure directory. Each tag must start with an uppercase letter or digit (for example, Cheminformatics, IUPAC, or 3D Geometry). The shared catalogue schema enforces this for all entries during npm run build, including in PR CI. If you need help generating this YAML, take a look at our new project creator at https://directory.omsf.io/new! Create a PR with the file you create and an example site will be generated in CI for you to preview! Once merged, the site will auto-deploy with new changes.

Software Used

This site is built using Astro and Svelte. This allows for us to build a dynamic site that functions like a static site. Additionally, we are using TailwindCSS to handle our styles. Additionally, we are using NPM to manage our packages, ESLint for linting, and prettier for formatting.

Repo Breakdown

omsf-directory/
├── .github/
│   └── workflows/          # GitHub Actions CI/CD workflows
├── public/                # Static assets (favicon, etc.)
├── infrastructure/       # YAML files defining infrastructure projects
│   └── *.yaml
├── software/              # YAML files defining software projects
│   └── *.yaml
├── src/                   # Source code for the Astro site
│   ├── assets/           # Images, icons, and other assets
│   ├── components/       # Svelte/Astro components
│   ├── layouts/          # Page layout templates
│   ├── lib/              # Utility functions and shared code
│   │   └── utils/        # Utility functions
│   ├── pages/            # Astro pages (routes)
│   ├── styles/           # CSS and styling files
│   ├── test/             # Test files
│   ├── content.config.ts # Content collection configuration
│   └── schemas.ts        # TypeScript schemas
├── workflows/             # YAML files defining workflow projects
│   └── *.yaml
├── astro.config.mjs       # Astro configuration
├── eslint.config.js       # ESLint config
├── bun.lock              # Bun lockfile
├── package.json          # Node.js project configuration
├── README.md             # This file
├── svelte.config.js      # Svelte configuration
└── tsconfig.json         # TypeScript configuration

Key Directories

• software/ - Contains YAML files that define each software project in the directory
• workflows/ - Contains YAML files that define workflow projects
• infrastructure/ - Contains YAML files that define infrastructure projects
• src/ - Main source code for the Astro website
• public/ - Static assets served directly by the web server
• .github/workflows/ - CI/CD pipeline definitions for automated builds and deployments

Acknowledgements

This work was supported by the US National Science Foundation under Grant No. 2303740.