LiteFold benchmarks

LiteMol-1

LiteMol-1 is LiteFold's first molecular foundation model for agent-driven design. The benchmark panel summarizes peptide co-fold confidence across ipSAE, ipTM, and pLDDT, plus small-molecule docking strength against public baselines.

MitoTox

MitoTox is LiteFold's state-of-the-art model for mitochondrial toxicity prediction, part of our pre-clinical stack (Signal). It helps teams screen liabilities early and run toxicity-aware lead design and optimization.

Molecular Dynamics

STMV benchmark (1.07M atoms, explicit PME), higher is better. Our optimized engine brings datacenter-class molecular dynamics throughput to a single RTX 5090, measured in nanoseconds simulated per day. Representative benchmark comparing our engine against stock OpenMM and datacenter GPUs.

BixBench

BixBench is the Future House benchmark of 200+ real bioinformatics tasks built from published research notebooks. Agents have to navigate complex datasets, execute Python and R, generate testable hypotheses, and defend their answers. New re-evaluations are ongoing right now, and the leaderboard will be refreshed as results finish.