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View All on GitHub Computational Chemistry • Molecular Dynamics
AI Summary: The task is to create a finetuning protocol and a tutorial demonstrating how to effectively finetune the pretrained multi-modal SevenNet models (specifically, SevenNet-MF-ompa) for improved performance on specific datasets or tasks. This includes clear instructions, example code, and potentially addressing any challenges users might encounter during the finetuning process.
Complexity:
4/5
bug documentation help wanted multi-modal
SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
Python