cff-version: 1.2.0
message: "If you use this software, please cite the CupOFMoCA paper."
title: "CupOFMoCA: Coupled Objective-Guided Discrete Flows for Molecular Conjugate Assembly"
type: software
authors:
  - family-names: Zhang
    given-names: Ruoxi Rosie
  - family-names: Li
    given-names: Ziang
  - family-names: Gu
    given-names: Jiatao
  - family-names: Chatterjee
    given-names: Pranam
license: Apache-2.0
repository-code: "https://huggingface.co/ChatterjeeLab/CupOFMoCA"
preferred-citation:
  type: conference-paper
  title: "CupOFMoCA: Coupled Objective-Guided Discrete Flows for Molecular Conjugate Assembly"
  authors:
    - family-names: Zhang
      given-names: Ruoxi Rosie
    - family-names: Li
      given-names: Ziang
    - family-names: Gu
      given-names: Jiatao
    - family-names: Chatterjee
      given-names: Pranam
  collection-title: "Advances in Neural Information Processing Systems"
  year: 2026