GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles and is a community-driven project. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers and fluid dynamics.
OEPKGS 全称开放软件包服务(Open External Packages Service)
OEPKGS 由中国科学院软件研究所、中科南京软件技术研究院、openEuler 社区共同发起并提供支持,旨在满足基础软件安全、可靠、合规的管理需求以及源码托管、构建、集成、发布等技术需求,形成基础软件供应链体系。
通过 OEPKGS 开源软件基础设施组件,为个人开发者、开源社区、OSV、ISV 提供免费的软件包、容器镜像的构建、分发和下载服务。
在未来,我们将为设备、系统、产业和行业提供高质量的、高可靠的、可持续演进的开源软件供应链体系,成为信息技术领域科学研究的基础平台,也将成为软件产业和信息技术产业的生态底座和基石,支撑中国软件产业的稳定高质量发展。