Reproduce benchmark on IAP datasets

lan496 / torch-m3gnet

PyTorch/PyG implementation of M3GNet

https://lan496.github.io/torch-m3gnet/

BSD 3-Clause "New" or "Revised" License

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Reproduce benchmark on IAP datasets #3

Open lan496 opened 2 years ago

JonathanSchmidt1 commented 1 year ago

Hi, thank you very much for the pytorch implementation. Did you manage to reproduce the errors on the original m3gnet training set. best, Jonathan

lan496 commented 1 year ago

Hi. I have not reproduced the benchmark on IAP datasets because I do not have enough GPU resources to search for appropriate hyperparameters for my Pytorch implementation.