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molML / s4-for-de-novo-drug-design

The official codebase of the paper "Chemical language modeling with structured state space sequence models"

HTML 47 4 Updated Aug 1, 2024

kxz18 / PS-VAE

Python 5 1 Updated Oct 1, 2022

AntonioLonga / PytorchGeometricTutorial

Pytorch Geometric Tutorials

Jupyter Notebook 1,023 300 Updated Jan 25, 2023