Topos Bio releases Topos-DB: 100k+ disordered protein-ligand systems, largest all-atom MD dataset
TimothyDuignan · x · 2026-10-01
Topos Bio built Topos-DB to fill the gap of large-scale disordered protein-ligand training data: over 100,000 disordered protein-ligand systems simulated with all-atom MD, claimed to be the largest all-atom protein MD dataset by distinct system count (3x the next largest). A commenter suggests pairing the approach with MLIPs.
Related event: Topos Bio Unveils Topos-2 to Tackle Disordered Protein Conformations(3 posts)→
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