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Scalable Molecular Dynamics with Work Queue at UT-Austin
The Biomolecular Engineering Lab at UT-Austin routinely requires large scale molecular dynamics for predicting ligand-protein binding affinity. The lab make…
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JX Language: REPL Tool and Dot Operator
Undergraduate student Jack Rundle has been making improvements to the JX language used throughout the CCTools package for expressing workflows, database quer…
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PONCHO Toolkit for Portable Python
PONCHO , is a lightweight Python based toolkit which allows users to synthesize environments from a concise, human-readable JSON file containing …
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WORKS Paper: Adaptive Resource Allocation for Heterogeneous Tasks in Dynamic Workflows
CCL graduate student Thanh Son Phung will be presenting his recent work on managing dynamic tasks at the WORKS workshop at Supercomputing 2021: Dynamic workf…
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New PythonTask Interface in Work Queue
The most recent version of Work Queue supports two different categories of tasks. Standard Task s describe a Unix command line and corresponding files, just …