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1. computational-modelling-workflow computational-modelling-workflow Public

   A stage-aligned visual reference for finite molecular and periodic modelling, from structure preparation to validated scientific output.

   Python 1

2. vasp-metal-backend vasp-metal-backend Public

   Independent Apple Metal GPU acceleration backend for VASP.

   C 2

3. vasp-6.6.1-macos-arm64-port vasp-6.6.1-macos-arm64-port Public

   Build, validation, and local execution tools for VASP 6.6.1 on Apple Silicon macOS, without redistributing licensed VASP code or binaries.

   Python 2

4. bo-forge bo-forge Public

   BO Forge is a local-first, CSV-backed Bayesian optimization toolkit for mixed-variable, multi-objective, staged, multi-fidelity, contextual, and noisy experimental campaigns.

   Python 2

5. from-pytorch-to-bayesian-optimisation from-pytorch-to-bayesian-optimisation Public

   A concept-first repository of Jupyter notebooks tracing a path from PyTorch fundamentals to Bayesian Optimisation.

   Jupyter Notebook 3

6. codex-skills codex-skills Public

   An extensible collection of independently installable Codex skills with shared evaluation, validation, and installation tooling.

   Python