Skip to content

0.0.2

Latest
Compare
Choose a tag to compare
@amorehead amorehead released this 15 Jan 22:39

Additions:

  1. Results for new baselines including AutoDock Vina + P2Rank, RoseTTAFold-All-Atom, and AlphaFold 3 (single-sequence).
  2. New ablations verifying the importance of performing joint training of protein-ligand structure and binding affinity prediction (FlowDock-AFT) and FlowDock's robustness to changes in the source prediction method of its input protein structures (FlowDock-ESMFold), with the latter ablation confirming that FlowDock's docking performance can be largely maintained using the default ESMFold predicted protein input structures (compared to using AlphaFold 3's predicted protein input structures). Hurray!
  3. Accordingly, an updated version of the arXiv preprint will be live by 01/18/2025.

Revisions:

  1. Enhanced the DockGen result plots' formatting.

Full Changelog: 0.0.1...0.0.2