Related Issues (20)
- How to use the potential of a finetuned model. HOT 1
- [Feature Request]: Implementation of other thermostats for molecular dynamics using matgl HOT 1
- what are the outputted units for stress? HOT 2
- Does the example training script work for multi-gpu training? HOT 1
- [Bug]: RuntimeError: Expected all tensors to be on the same device, but found at least two devices, cuda:0 and cpu! HOT 5
- TensorNet HOT 1
- [Bug]: `RuntimeError: expected scalar type Float but found Double` HOT 1
- [Bug]: Cannot load from checkpoint HOT 2
- [Bug]: pymatgen CI broken due to transitive `pydantic` dependency via `matgl->dgl->pydantic`.
- [Bug]: Incompataibility with `dgl==2.1.0` and `torch==2.2.2` HOT 11
- [Bug]: Getting ValueError due to run "Training a M3GNet Formation Energy Model with PyTorch Lightning.ipynb" without any change in code. HOT 2
- [Bug]: AttributeError: 'M3GNet' object has no attribute 'calc_stresses' HOT 1
- [Feature Request]: change the home page info in your page
- [Bug]: ValueError: Bad serialized model or bad model name. It is possible that you have an older model cached. Please clear your cache by running `python -c "import matgl; matgl.clear_cache()"` HOT 2
- [Question] M3GNet finetuning and MD HOT 2
- [Bug]: GPU utilization low and multi-core CPU utilization only around 100% during training HOT 1
- [Bug]: pypi/release version not consistent with git repo for models HOT 2
- [Bug]: RMSE and MAE are the same in the outputted test metric HOT 3
- UserWarrning in `_basis.py` HOT 1
- [Bug]: Finetuned model is worse than pretrained model HOT 18
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