The software and computing industry has undergone a dramatic shift in the last decade from on-premise datacenters to cloud resources, bringing with it unheralded increases in computing scale, storage and flexibility. By necessity, new classes of algorithms, software tools, and software engineering patterns have emerged. These advances have been harnessed by OpenEye to build a cloud-based platform for drug discovery. Central to our paradigm is a workflow engine that enable large-scale, robust calculations on heterogeneous compute environments. This talk will encompass the design consideration and real world applications of this approach, and how it enables computational molecular sciences to reap the many benefits of cloud computing.

Building scalable workflows with Orion, a cloud-based platform for drug discovery

2019 Spring National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.