Request for torchmd-train scripts for fine-tuning AceFF 2.0 model

#5
by gcorrea96 - opened

Thank you for releasing AceFF 2.0 and for making the pretrained model available.

I would like to ask if it would be possible to share the torchmd-train training scripts used for AceFF 2.0. I am currently interested in fine-tuning the model on my own dataset and I would like to follow your pipeline as closely as possible to avoid implementation issues. If sharing the full training code is not possible, even a minimal example or documentation of the key training hyperparameters would be very helpful.

Acellera org

What's available publicly is in the GitHub of torchmd-net inside the scripts directory and there are examples there but not specific to aceff
https://github.com/torchmd/torchmd-net/

giadefa changed discussion status to closed

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