UQ-ATB file repository

The ATB database includes optimized geometries and atomic interaction parameters for over 180,000 molecules along and has over 6500 registered users worldwide. The data is accessed by hundreds or researchers daily. The requested resources will be used primarily to generate, store and serve molecular fragments which are used to enable the rapid identification and parametrization of novel molecules submitted to the main ATB web site.

ATB数据库包含超过180,000种分子的优化几何结构与原子相互作用参数，且在全球拥有逾6500名注册用户。该数据库的数据每日被数百名研究人员访问。所申请的资源将主要用于生成、存储和提供分子片段，这些片段可助力对提交至ATB主网站的新型分子进行快速识别与参数化。