CITATION.CFF

cff-version: 1.2.0
title: >-
  Assessing interaction recovery of predicted protein-ligand poses
message: >-
  If you use this work, please cite it using the following metadata.
type: software
authors:
  - family-names: Errington
    given-names: David
  - family-names: Schneider
    given-names: Constantin
  - family-names: Bouysset
    given-names: Cédric
  - family-names: Dreyer
    given-names: Frédéric A.
identifiers:
  - type: doi
    value: 10.48550/arXiv.2409.20227
    description: The ArXiv preprint of the paper
  - type: doi
    value: 10.5281/zenodo.13851241
    description: Data for the 256 PoseBuster targets used in our paper
repository-code: "https://github.com/Exscientia/plif_validity"
url: "https://arxiv.org/abs/2409.20227"
repository-artifact: "https://doi.org/10.5281/zenodo.13851241"
keywords:
  - protein-ligand interaction
  - pose prediction
  - computational chemistry
license: MIT
version: arXiv.2409.20227
date-released: "2024-09-30"