Jake Kim Quarterly Report from CGL
We have been working on the workflow modules and their integration for the chemical compound mining and High Throughput Screening (HTS) data organization and flagging. We showed the workflow of the chemical compound mining in the 'BigRed' supercomputer launching demonstration. The big picture for the whole workflow can be found at the followings:
- http://www.chembiogrid.org/wiki/index.php/Meetings#Oct_6_Quarterly_Team_Meeting
- http://www.chembiogrid.org/wiki/index.php/Meetings#August_22_Big_Red_Demo
To complete the big picture of the workflow, we are cooperating with other CICC members at Chemical Informatics for the NIH and Varuna database integrations. We have also been progressing on the distributed computation for those modules as Grid services. The supercomputers under a common 'TeraGrid' domain are considered to be a backend computation and we have tested our computation on them. We are currently able to submit Vanilla and Globus jobs to those TeraGrid machines, and applying on the newer version of Condor. Some of modules in the workflow have already served in Web Services and we recently added another service, "VotableToSpreadshee" as follows:
Those Web services are also accessible through a Portal system and some of them are accessible through the following.