Beast code in Giters

Adamo Young's repositories

This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data

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overview of datasets for ML in chemistry

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ChemNLP project

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[NeurIPS'19] Deep Equilibrium Models

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Colab assignment for CSC2541

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Efficient Graph Generation with Graph Recurrent Attention Networks, Deep Generative Model of Graphs, Graph Neural Networks, NeurIPS 2019

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Mutation segmentation

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Tandem Mass Spectrum Prediction with Graph Transformers

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MassSpecGym: A benchmark for the discovery and identification of molecules

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Hessian spectral density estimation in TF and Jax

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