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Projects in Awesome Lists tagged with qm9

A curated list of projects in awesome lists tagged with qm9 .

https://github.com/senya-ashukha/simple-equivariant-gnn

A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks

deep-learning deep-neural-networks egnn equivariance gnn graph-neural-networks homo molecules neural-networks pytorch qm9

Last synced: 19 Nov 2024

https://github.com/drkenreid/vae-for-molecule-discovery

A Variational Autoencoder in Google Colab to generate and visualize novel molecular structures for potential drug discovery applications, using the QM9 dataset and SMILES representation.

drug-discovery molecule-generation molecule-visualization qm9 smiles smiles-strings vae variational-autoencoder

Last synced: 08 Nov 2024