/tools/MDBenchmark

MDBenchmark

bio-phys/MDBenchmark

80 stars17 forksPythonWebsiteAdded February 4, 2026
summary

MDBenchmark is a tool that facilitates the generation, execution, and analysis of benchmarks for molecular dynamics simulations. It optimizes the use of computing resources by allowing users to compare performance across different simulation setups and visualize the results.

description

Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

topics

benchmarkmolecular-dynamicssimulationgromacsclinamdhigh-performance-computingpythoncomputational-chemistry

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