Make PA-VAE working - Githubissues

iris-ywang / chemvae_model

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Make PA-VAE working #3

Closed iris-ywang closed 3 weeks ago

iris-ywang commented 3 weeks ago

Enable PA-VAE to run

Updated keras and other package dependency to match the hardware/software on the HPC server
Create PA-VAE classes to generate PA-VAE models.

Evaluation

Developed and wrote evaluation methods:
- Run PA/SA using latent rep
- Run Similarity comparison using input SMILES one-hot and output SMILES one-hot
Received preliminary results.