MDDB

MDDB compiles and organises all data generated by molecular dynamics simulations.It is engineered to be resilient to large systems and long trajectories, making it compatible with modern MD simulations and capable of handling non-Markovian ensembles of large systems.

分子动力学数据库（MDDB）对分子动力学模拟产生的全部数据进行归集与整理。该数据库专为应对大规模体系与长时程轨迹而设计，具备优异的鲁棒性，可兼容现代分子动力学模拟流程，同时能够处理大规模体系的非马尔可夫系综。