The Johns Hopkins Clinical Compound Screening Initiative. This original library contains 3,500 drugs, many drugs in this library are FDA-approved and off patent, with known pharmacologic properties and side-effects. (We received 1,503 compounds) http://www.jhccsi.org/background.html
In the Department of System Medicine and Bioengineering at Houston Methodist Research Institute, a computing and storage environment has been established and kept being upgraded for over 4 years. Two computing clusters, a 242-core Linux-based and a 64-core Windows-based, are online for intense computations required in our biomedical research. The Linux cluster is build by HP BL460c (8-core per node, with 8GB or 32GB memory) blade system and Thinkmat superBlade Module SBA 7142G (48-core or 64-core per node with 128GB or 512GB memory). The Windows cluster is build by HP BL460c (8-core per node, with 32GB memory) blade system. 4 storage servers (HP AIO1200, HP GL185 G5 and 2 of Dell PowerEdgeR 510) with a total capacity of 66 TB are providing network storage and data backup. Furthermore, a GPU-based computing server (Dell PowerEdge C1100 with 4 NVidia Tesla M2070 GPU units) has been installed recently.
Externally, we have accesses to the BlueBioU IBM supercomputer located at Rice University and Supercomputing Linux clusters at Texas Advanced Computing Center (TACC). BlueBioU is an IBM POWER7 compute cluster. The system contains 47 IBM P750 compute nodes. Each node has four eight-core IBM POWER7 processors running at 3.8GHz. Each core is capable of running four threads resulting in 128 threads per node with a cluster-wide total of 6016 threads and 1504 cores. Each node contains 256GB of RAM. Ranger and Lonestar are two Linux-based clusters at TACC with 62976 and 22656 CPU cores, respectively. The extremely intense simulations in our research can be carried out on these supercomputing facilities.