Thomas Plé
thomasple.bsky.social
Thomas Plé
@thomasple.bsky.social
In the case of FeNNix-Bio1, we directly simulate the dynamics of the protein with an all-atom ML potential with near ab initio accuracy.
December 17, 2025 at 4:31 PM
Hi there. The scope of the paper you mention is actually quite different: in their case, the ML model performs coarse-grained MD to accelerate the dynamics of an all-atoms force field (AMBER in this case) so it is limited by the accuracy of the underlying FF.
December 17, 2025 at 4:31 PM