cdvae
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txie-93
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
Try to install these packages if want to run cdvae. Package Version Editable project location ----------------------------- ----------- ------------------------- absl-py 1.4.0 aflow 0.0.11 aiohttp 3.8.5 aiosignal 1.3.1 altair 5.1.2 antlr4-python3-runtime 4.8...
Excuse me, I'm a first-year graduate student. My programming ability is limited. So I have a question. 1. I want to know what the `MODEL_PATH `is. I tried many paths,...
Hi, I am running the CDVAE carbon experiment and I have been seeing a weird error. It appears that my code will just hang after completely three iterations of the...
when i run in command line :python cdvae/run.py data=carbon expname=carbon, above issue appear. i change batchsize to 1 and expand virtual memory in my computer, but this issue still remain....
When I try to run the code, it seems to be an import error in "from torch_geometric.nn.acts import swish ". I can't find the acts under torch_geometric.nn I also tried...
Hi professor, I followed the installation in README and use env.yaml to create the conda environment on GPU clusters. When i try command like `python cdvae/run.py data=carbon` an error occurs:...
**Need Solution!** fn = torch._C._jit_script_compile( qualified_name, ast, _rcb, get_default_args(obj) ) RuntimeError: General Union types are not currently supported. Only Union[T, NoneType] (i.e. Optional[T]) is supported.: /lib/python3.8/site-packages/torch_cluster/rw.py", line 18 num_nodes: Optional[int]...
``` while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision. warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings)) 100%|█████████▉| 11351/11356 [09:20
I am trying to run compute_metrics on another dataset and ran into errors related to the models in the prop_models folder. Is there any information on how the models in...
This works for me. ``` name: cdvae channels: - pytorch - conda-forge - defaults dependencies: - python=3.8 - cudatoolkit=10.2.89 - pip - numpy=1.24.4 - pandas=2.0.3 - matplotlib-base=3.7.3 - seaborn=0.13.2 -...
