cff-version: 1.2.0
message: If CatGo contributes to your work, please acknowledge and cite it as described below. This request is not an additional condition of AGPL-3.0-or-later.
version: 1.4.8
title: CatGo
license: AGPL-3.0-or-later
license-url: https://github.com/Hello-QM/catgo-LRG/blob/main/license
authors:
  - family-names: Li
    given-names: Wanlu
    affiliation: University of California, San Diego
    email: gul026@ucsd.edu
repository-code: https://github.com/Hello-QM/catgo-LRG
type: software
url: https://github.com/Hello-QM/catgo-LRG
preferred-citation:
  type: article
  title: "CatGo: Bridging CLI Coding Agents with Interactive Structure and Workflow Management for Computational Chemistry"
  authors:
    - family-names: Liu
      given-names: Guangsheng
    - family-names: Ma
      given-names: Xiao
    - family-names: Zhang
      given-names: Leshen
    - family-names: Pascasio
      given-names: Jenedith
    - family-names: Yang
      given-names: Jonathan
    - family-names: Chen
      given-names: Yuxiang
    - family-names: Li
      given-names: Wan-Lu
  year: 2026
  doi: 10.26434/chemrxiv.15002984/v1
  url: https://doi.org/10.26434/chemrxiv.15002984/v1
  publisher:
    name: ChemRxiv
  notes: Preprint