Sharing data from molecular simulations

Abraham MJ, Apostolov R, Barnoud J, Bauer P, Blau C, Bonvin AMJJ, Chavent M, Chodera JD, Condic-Jurkic K, Delemotte L, Grubmüller H, Howard RJ, Lindahl E, Ollila S, Salent J, Smith D, Stansfeld PJ, Tiemann J, Trellet M, Woods C, and Zhmurov A.
Journal of Chemical Information and Modeling ASAP. [chemRxiv] [DOI] [PDF]

There is a dire need to establish standards for sharing data in the molecular sciences. Here, we review the findings of a workshop held in Stockholm in Nov 2018 to discuss this need.