Library/torchdrug
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DeepGraphLearning/torchdrug

torchdrug

A powerful and flexible machine learning platform for drug discovery

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DeepGraphLearning

DeepGraphLearning

DeepGraphLearning • individual

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1,573

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219

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Created

Aug 10, 2021

Project creation date

README Summary

TorchDrug is a PyTorch-based machine learning platform specifically designed for drug discovery applications. It provides a comprehensive toolkit for molecular property prediction, drug-target interaction modeling, and other pharmaceutical research tasks. The platform offers pre-built models, datasets, and utilities to accelerate drug discovery research workflows.

AI Dev Skills

Unmapped

Graph Neural NetworksMolecular Machine LearningChemical InformaticsPyTorch Deep LearningMolecular Property PredictionDrug-Target Interaction ModelingMolecular Graph RepresentationChemical Dataset ProcessingPharmaceutical AI

Tags

Graph Neural NetworksMolecular Machine LearningChemical InformaticsPyTorch Deep LearningMolecular Property PredictionDrug-Target Interaction ModelingMolecular Graph RepresentationChemical Dataset ProcessingPharmaceutical AIResearch ComputingDomain-Specific AI PlatformsTabularDrug-Target Interaction PredictionChemical Compound AnalysisMolecular GraphsChemical StructuresGraph Machine LearningPharmaceuticalBiotechnologyHealthcareMolecular Design OptimizationPharmaceutical Research AccelerationScientific AISelf-hostedPython

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Recent Activity

Updated 1 years ago

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90 Days

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Quality

research
Quality
medium
Maturity
research

Categories

Other AI / MLPrimaryLearning ResourcesML Platform & InfrastructureHealthcare & BiologyEdge & Mobile AISearch & KnowledgeModel Training

PM Skills

Product Discovery

Languages

Python100.0%

Timeline

Project created
Aug 10, 2021
Forked
Mar 23, 2026
Your last push
1 years ago
Upstream last push
1 years ago
Tracked since
Aug 12, 2024

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