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  • VirtualFlow: a versatile, parallel workflow platform for carrying out virtual screening

VirtualFlow: a versatile, parallel workflow platform for carrying out virtual screening

https://virtual-flow.org/

 related tasks on Linux-based computer clusters of any type and size which are managed by a batchsystem (such as SLURM). 

Currently, there exist two versions of VirtualFlow, which are tailored to different types of tasks:

They use the same core technology regarding the workflow management and parallelization, and they can be used individually or in concert with each other. Additional versions are expected to arrive in the future. 

https://github.com/VirtualFlow

https://www.nature.com/articles/s41586-020-2117-z?