Note: MSI's SAS license will permanently expire on 10/29/17, after which the software will no longer be available. SAS is a scalable, integrated software environment and a flexible and extensible programming language designed for data access, data manipulation, and data analysis. It offers data management and predictive analytic capabilities, data mining process, drug discovery solutions, and much more.
The Hadoop Map/Reduce framework harnesses a cluster of machines and executes user defined Map/Reduce jobs across the nodes in the cluster. On itasca, a script exists to create an ephemeral Hadoop cluster on the set of nodes assigned by the scheduler. The script setup_cluster will format a HDFS filesystem on the local scratch disks. This resource is best-suited for application benchmarking, and algorithm testing. All data must be moved to HDFS after the cluster is brought up when the jobs starts. Any data that you wish to save must be moved to your home directory before the job completes. Many...
ACD/Labs is a chemistry software package used widely to assist academic researchers in identifying chemical compounds. The software consists of an easy-to-use chemical structure drawing interface along with the industry standard systematic naming tools, PhysChem, and NMR prediction software. It also include an aldrich FT NMR spectra database for over 11,000 chemical compounds.
The SYBYL expert molecular modeling environment provides the fundamental components for understanding molecular structure and properties with special focus on the creation of new chemical entities.