Johanna Tiemann Profile picture
Postdoc in 🇩🇰 w/ @LindorffLarsen & @_amelie_rocks. 👀 at sequence, dynamics & function. in ❤️ w/ membrane proteins & #openscience. worldchild. She/her. LGBTQ+
Nov 5, 2019 8 tweets 14 min read
Last session of the @MolSSI_NSF workshop #MDSI2019 chaired by @davidlmobley on "Reproducibility calculations of properties". @MolSSI_NSF @davidlmobley DM shares the outcome of the last @samplchallenges (doi.org/10.1101/795005), which is not the one expected (reproducible crisis?!)! How do we get to the same answers across codes? Go towards method submission no predictions & that we have to test whether equivalent methods agree