Ensuring Scientific Reproducibility in Bio-Macromolecular Modeling via Extensive, Automated Benchmarks
J Koehler Leman, S Lyskov, SM Lewis, J Adolf-Bryfogle, RF Alford, K Barlow, Z Ben-Aharon, D Farrell, J Fell, WA Hansen, A Harmalkar, J Jeliazkov, G Kuenze, JD Krys, A Ljubetič, AL Loshbaugh, J Maguire, R Moretti, VK Mulligan, ML Nance, PT Nguyen, S Ó Conchúir, SS Roy Burman, R Samanta, ST Smith, F Teets, JKS Tiemann, A Watkins, H Woods, BJ Yachnin, CD Bahl, C Bailey-Kellogg, D Baker, R Das, F DiMaio, SD Khare, T Kortemme, JW Labonte, K Lindorff-Larsen, J Meiler, W Schief, O Schueler-Furman, JB Siegel, A Stein, V Yarov-Yarovoy, B Kuhlman, A Leaver-Fay, D Gront, JJ Gray, R BonneauNat Commun, November 2021; doi: 10.1038/s41467-021-27222-7
