cdvae
cdvae copied to clipboard
txie-93
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
To run the code quickly while testing
 Happy to PR this compatibility. Lmk if that sounds OK.
Not a big deal, but could add `mp-20`, `perov-20`, and `carbon-20` in addition to the underscored versions for `data=...`
e.g. https://github.com/txie-93/cdvae/blob/main/scripts/compute_metrics.py
I end up getting some combination of my computer becoming non-responsive/needing to force quit VS Code and the following error message: ```python [WinError 1455] The paging file is too small...
https://github.com/conda-incubator/conda-lock Here's some additional info from an initialized [PyScaffold](https://pyscaffold.org/en/stable/) template (probably only with the ds-project extension enabled): > 1. Always keep your abstract (unpinned) dependencies updated in `environment.yml` and eventually...
Hello, this software looks great! However, I am having problems when I try to run the reconstruction task, I get the error below. I traced the error and did some...
I found another issue... Maybe this is also related to changes in pytorch? I think I managed to train the CDVAE with the datasets Perov-5 and Carbon-24, but when I...
Sorry for bothering you with all these questions ... As you know I didn't manage to execute the reconstruction task, but I think the generation task finished succefully. The program...