.. Copyright 2026 Entalpic

Atompack
========

.. toctree::
   :hidden:
   :maxdepth: 2

   self
   getting-started
   performance
   huggingface
   architecture
   contributing
   rust-api
   autoapi/index

Append-only molecule storage for atomistic ML datasets, with a Python API, Rust core, random
access reads, ASE helpers, and optional compression when size matters.

.. grid:: 2
   :gutter: 2

   .. grid-item-card:: Getting Started
      :link: getting-started
      :link-type: doc

      Install Atompack and run the 5-minute quickstart.

   .. grid-item-card:: Performance
      :link: performance
      :link-type: doc

      Batch-oriented access patterns, benchmarks, and practical guidance.

   .. grid-item-card:: Hugging Face
      :link: huggingface
      :link-type: doc

      Upload and reopen Atompack datasets through the Hub.

   .. grid-item-card:: Architecture
      :link: architecture
      :link-type: doc

      Data model, storage layout, read/write modes, and current tradeoffs.

   .. grid-item-card:: Python API Reference
      :link: autoapi/index
      :link-type: doc

      Auto-generated API docs for the `atompack` Python package.

   .. grid-item-card:: Rust API
      :link: rust-api
      :link-type: doc

      rustdoc for the core crate plus the bindings crate.

   .. grid-item-card:: Contributing
      :link: contributing
      :link-type: doc

      Development workflows, tests, docs, and stub generation.