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v0.1.0 — initial public release

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@thematteroftime thematteroftime released this 09 May 05:36
· 23 commits to main since this release
v0.1.0
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md-for-dummies v0.1.0 — initial public release

A small but complete molecular-dynamics framework for reproducing physics papers, driven by an AI skill that turns a paper into a runnable experiment config.

What is in this release

  • 4-layer architecture (config → adapter → platform → infrastructure) with hard contracts at every boundary
  • AI skill (paper-to-experiment) that walks a paper into a validated config in 7 steps
  • Two end-to-end reference reproductions:
    • PRX 2015 (non-reciprocal Hertzian): slope_A = 0.6617 vs paper 2/3 (0.74% error)
    • PRL 2008 (anisotropic Yukawa): chain phase with g_∥/g_⊥ = 5.33×, ⟨L⟩ = 5.15
  • Class-name dispatch — add a new analyzer / visualizer / aggregator with one file plus one registry line
  • Layered validation — schema, physics rules, manifest §3.2, registry. Bad configs fail before any GPU is touched.
  • 8 reproduction figures under docs/images/
  • Meta-skill (creator) scaffold for generating paper-to-experiment skills tailored to other simulation frameworks

Tested on

Python 3.10, Taichi 1.7.4 + CUDA, RTX 5060 Laptop (8 GB VRAM).

Getting started

git clone https://github.com/thematteroftime/md-for-dummies
cd md-for-dummies
pip install -r requirements.txt
python scripts/validate_config.py configs/examples/plan_e_damping.json --strict

See README.md for the full quickstart and AI-skill workflow, ARCHITECTURE.md for the design spec, CONTRIBUTING.md for the contribution guide.

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