BiophysicsbioRxivPreprint
An auditable harness for biomolecular dynamics simulations by AI agents
Yasuhiro Matsunaga, Yichao Wu, Yangyang Zhang…·Ai Shinobu
MDClaw ensures auditable molecular dynamics simulations by AI agents through validation tools and a DAG, improving reliability on benchmark datasets.
DOI 10.64898/2026.11.09.765490