CITATION.cff

cff-version: 1.2.0
message: "If you use this work, please cite it using the following metadata."
authors:
  - family-names: Zhang
    given-names: Hengrui
    orcid: "https://orcid.org/0000-0002-3183-1654"
title: "MolSets: Molecular graph deep sets"
version: 1.0.0
release-date: 2024-04-25
url: "https://github.com/Henrium/MolSets"
preferred-citation:
  title: "Learning molecular mixture property using chemistry-aware graph neural network"
  authors:
    - family-names: Zhang
      given-names: Hengrui
    - family-names: Lai
      given-names: Tianxing
    - family-names: Chen
      given-names: Jie
    - family-names: Manthiram
      given-names: Arumugam
    - family-names: Rondinelli
      given-names: James M.
    - family-names: Chen
      given-names: Wei
  journal: "PRX Energy"
  year: 2024
  volume: 3
  issue: 2
  page: "023006"
  doi: 10.1103/PRXEnergy.3.023006
  type: article