A wrapper around different OpenMMLab backends: MMDetection; MMSegmentation; MMPretrain; Using MMEngine as the training engine. By using these different backends we have sophisticated and tested backend.

A MM wrapper class that calls OpenMM to obtain molecular mechanics information. Also can be used to take steps in a molecular dynamics simulation. Class inherits from MMWrapper.

In MMEngine, the optimizer wrapper constructor allows users to set hyperparameters in different parts of the model directly by setting the paramwise_cfg in the configuration file rather than by modifying the code of building the optimizer.

Optimizer wrapper provides a unified interface for single precision training and automatic mixed precision training with different hardware. OptimWrapper encapsulates optimizer to provide simplified interfaces for commonly used training techniques …

OptimWrapper encapsulates optimizer to provide simplified interfaces for commonly used training techniques such as gradient accumulative and grad clips. ``OptimWrapper`` implements the basic logic of gradient accumulation and gradient clipping based on ``torch.optim.Optimizer``.

ll_wrapper=mm_wrapper.OpenMMWrapper(sys_info="water.pdb") #instantiateaPermuted Adaptive Partitioning(PAP)object, #varying Rmin and Rmax(Angstroms) p1=qmmm.PAP(hl_wrapper,ll_wrapper,sys_info="water.pdb",Rmin=5.0,Rmax=5.5) p2=qmmm.PAP(hl_wrapper,ll_wrapper,sys_info="water.pdb",Rmin=5.0,Rmax=6.0) #partition …

mmengine.optim. build_optim_wrapper (model, cfg) [source] ¶ Build function of OptimWrapper. If constructor is set in the cfg , this method will build an optimizer wrapper constructor, and use optimizer wrapper constructor to build the optimizer wrapper.

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A MM wrapper class that calls OpenMM to obtain molecular mechanics information. Also can be used to take steps in a molecular dynamics simulation. Class inherits from MMWrapper.

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