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atomistic-machine-learning / schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems
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Gradient clipping value set to zero? #660

Closed K-H-Ismail closed 2 months ago

K-H-Ismail commented 2 months ago

Hello,

I noticed that the value of gradient clipping in the default_trainer was set to 0. What does that value mean? Is it really performing any gradient clipping? I recommend removing this line or changing this value to a meaningful one (like gradient_clip_val: 1).

stefaanhessmann commented 2 months ago

Hi @K-H-Ismail

the default value of 0 means that gradient clipping is not used according to the explanation in the lightning docs. However it seems like the default has been changed to None in newer versions. I will update it and set the default to None which should be more clear.

Best, Stefaan

K-H-Ismail commented 2 months ago

Hello @stefaanhessmann,

Understood, thank you very much!

Sincerely, Ismail.