Roadmap

This page is a strategic direction for pbcgraph, not a promise or a fixed schedule. Priorities can change based on real downstream use-cases.

• v0.1.x: stabilization + documentation + small ergonomics; plus early interop adapters.

Other directions (versioning intentionally omitted):

• Interop and serialization:

  • round-trip export/import of quotient graphs (including translation vectors and attributes)
  • adapters to common crystallography / materials toolchains (e.g., pymatgen-style graphs)

• Topological analysis:

  • translation-aware ring statistics and cycle classification
  • coordination sequences / growth series and simple net descriptors
  • better interpenetration summaries building on torsion signatures

• Canonical forms and isomorphism:

  • periodic-graph isomorphism tests (including translations)
  • canonical labeling / hashing for dataset building and deduplication

• Optional geometry-aware helpers:

  • embeddings (fractional coordinates) as attributes and consistency checks with tvec
  • geometry-derived weights (lengths/energies) without making geometry a core dependency

If you rely on any of these, treat them as collaboration targets: concrete use-cases and minimal reproducible examples will shape what lands in pbcgraph versus what belongs in downstream packages.