Bug fix in nn.feedforward

luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations

MIT License

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Bug fix in nn.feedforward #119

Closed EnricoTrizio closed 7 months ago

EnricoTrizio commented 7 months ago

Description

Fix bug of in_place dropout application that makes backprop fail and in batchnorm option, see #118 Also adds a backward call in test for nn.feedforward

Status

[x] Ready to go

geraseva commented 7 months ago

Thank you! Could you also fix batchnorm?

Replacing self.in_features with (1,self.in_features) in https://github.com/luigibonati/mlcolvar/blob/main/mlcolvar/cvs/cv.py#L61 worked for me.

codecov[bot] commented 7 months ago

Codecov Report

Merging #119 (5d0798e) into main (04596c2) will decrease coverage by 0.01%. The diff coverage is 100.00%.

Additional details and impacted files

geraseva commented 7 months ago

Thank you!