cdvae
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txie-93
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
Are there any public checkpoints available? Do the authors have any plans to release checkpoints in the future?
Thank you very much for your work, after training the generation task, may I ask how to visualize the generated results?
(GLDMS) [scw6cst@ln01 cdvae-main]$ python cdvae/run.py data=perov expname=perov /data/run01/scw6cst/cdvae-main/cdvae/run.py:164: UserWarning: The version_base parameter is not specified. Please specify a compatability version level, or None. Will assume defaults for version 1.1 @hydra.main(config_path=str(PROJECT_ROOT...
hi~,how to solve this error
Hello author, how can I visualize the generated PT file as a crystal, I haven't been able to finish, can you share the code
The first question is whether I should run python scripts/evaluate.py --model_path MODEL_PATH --tasks recon gen opt or python scripts/evaluate.py --model_path MODEL_PATH --tasks recon gen opt model.predict_property=True when generating materials. Which...
Hello, I am currently working with your model using a new dataset for metal-organic frameworks. While running the compute_metrics script, I noticed that it requires a checkpoint saved in the...
Dear txie, I train the `pervo` data use ``` python cdvae/run.py data=perov expname=perov model.predict_property=True python scripts/evaluate.py --model_path MODEL_PATH --tasks opt ``` I have some question: ``` train_loss_step 7.70267 train_kld_loss_step 32.16307...
