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AlphaFlow
biological · generative ·
anchor
Findings
IC-225
ESM3 (1.4B) performs zero-shot protein conformation generation with competitive quality across BPTI dynamics, conformation changing pairs, and intrinsically disordered proteins
[compared-to]
IC-227
MSA-based conformation generation methods (AlphaFlow, MSA-subsampling) outperform sequence-based methods (EigenFold, STR2STR, ESMFlow) on conformation changing pair generation
IC-228
ESM3 (1.4B) fails to capture MD ensemble statistics on the ATLAS benchmark, achieving pairwise RMSD correlation of only 0.08
[compared-to]