Virtual Computational Chemistry Laboratory

Input data Output results Example List of key words


Keyword of  Integer Type

    Indicate if calculations should be performed on several computers and corresponds to the number of computers that should be used in parallel. The number of available servers is shown in Task Manager panel. The parallel calculations are performed  for neural networks optimisation but all ASNN corrections are performed only on one computer.

    This option is not compatible with PRUNE, use of EPA and some other algorithms that require an ensemble of neural networks for their work.

The default value is {1} -- only one server will be used, i.e. no parallel calculations.

N.B.! For this option we use calculations at the batch system and they could start in few hours after submission of the task. Thus unless you really need very long calculations, skip this option and use PARALLEL=1 (i.e., no parallel calculations). See FAQ if you have questions. How to cite this applet? Are you looking for a new job in chemoinformatics?

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