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torchdrug

Here are 4 public repositories matching this topic...

chemicalx

AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

machine-learning deep-learning chemistry geometry biology torch pytorch drug-discovery drug smiles pharma geometric-deep-learning graph-neural-network drug-interaction polypharmacy smiles-strings deep-chemistry drug-pair torchdrug

Updated Sep 11, 2023
Python

DeepGraphLearning / esm-s

Structure-Informed Protein Language Model

protein-structure protein torchdrug

Updated Feb 15, 2024
Python

Orbifold / drug-repurposing

Drug Repurposing using TigerGraph and Graph Machine Learning.

geometric-deep-learning graph-neural-networks tigergraph repurposing-drugs torchdrug

Updated Feb 13, 2022
Jupyter Notebook

VictorZXY / expressive-graph-gen

Mini-project for my CST Part III Representation Learning on Graphs and Networks (L45) module

machine-learning deep-learning pytorch graph-neural-networks deep-generative-models torchdrug

Updated Apr 27, 2022
Python

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