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luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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Add SequentialTransform #147

Closed EnricoTrizio closed 2 months ago

EnricoTrizio commented 2 months ago

Description

This PR adds a SequentialTransform helper class that allows combining multiple trasforms in a sequential way to fix #140. The new class works exactly like torch.nn.Sequential but also has in_features and out_features attributes.

Status

codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 92.56%. Comparing base (d9640bd) to head (d12bf39).

Additional details and impacted files