nanocatalyst/CITATION.cff at main · everything-chalna/nanocatalyst · GitHub

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cff-version: 1.2.0
title: "nanocatalyst"
message: "If you use this software, please cite it as below."
type: software
version: "0.1.0"
date-released: "2026-04-09"
license: MIT
url: "https://github.com/everythingchalna/nanocatalyst"
repository-code: "https://github.com/everythingchalna/nanocatalyst"
authors:
  - name: "nanocatalyst contributors"
keywords:
  - catalyst
  - transformer
  - jax
  - structure-generation
  - materials-science
  - open-catalyst
  - constrained-decoding
  - tpu
abstract: >-
  Minimal JAX/Flax transformer for catalyst structure generation
  with single-parameter depth scaling. Achieves 95% generation validity
  with 11x less data than CatGPT using constrained decoding,
  modern architecture (RMSNorm, RoPE, ReLU squared, logit softcapping,
  residual scalars), and 2-digit pair tokenization.