H100-class molecular dynamics on a single RTX 5090.
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.
| System | Score (ns/day) |
|---|---|
| RTX 5090 (LiteFold) | 136 |
| B200 | 118 |
| RTX 5090 (Stock) | 101 |
| H200 | 78 |
| H100 | 62 |
| RTX 4080 | 46 |
| A100 | 32 |