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DeepGraphLearning/torchdrug

torchdrug

A powerful and flexible machine learning platform for drug discovery

View on GitHub↗Upstream DeepGraphLearning/torchdrug↗

Builder

DeepGraphLearning

DeepGraphLearning

DeepGraphLearning • individual

Stars

1,579

Using upstream star count

Forks

221

Using upstream fork count

Open Issues

0

Activity Score

0/100

0 commits in 30d

Created

Aug 10, 2021

Project creation date

README Summary

[![TorchDrug](asset/torchdrug_logo_full.svg)](https://torchdrug.ai/) <h1 align="center"> with <a href="https://torchprotein.ai/"> <img src="asset/torchprotein_logo_tight.svg" alt="TorchProtein" style="height:26px" /> </a> </h1>

Community Evaluation

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AI Dev Skills

Unmapped

Chemical Dataset ProcessingChemical InformaticsDrug-Target Interaction ModelingGraph Neural NetworksMolecular Graph RepresentationMolecular Machine LearningMolecular Property PredictionPharmaceutical AIPyTorch Deep Learning

Tags

Chemical Dataset ProcessingChemical InformaticsDrug-Target Interaction ModelingGraph Neural NetworksMolecular Graph RepresentationMolecular Machine LearningMolecular Property PredictionPharmaceutical AIPyTorch Deep LearningBenchmarkingEvalsForkedGPU / CUDAMachine LearningPythonPyTorchWeights & Biases

Taxonomy

AI Trends

Scientific AIGraph Machine LearningDomain-Specific AI Platforms

category

Evals & BenchmarkingModel TrainingObservability & MonitoringInference & Serving

Deployment Context

Self-hostedResearch Computing

Industries

PharmaceuticalBiotechnologyHealthcare

Modalities

Chemical StructuresMolecular GraphsTabular

Skill Areas

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

tag

BenchmarkingEvalsForkedGPU / CUDAMachine LearningPyTorchPythonWeights & Biases

Use Cases

Molecular Property PredictionDrug-Target Interaction PredictionChemical Compound AnalysisPharmaceutical Research AccelerationMolecular Design Optimization

Recent Activity

Updated 1 years ago

7 Days

0

30 Days

0

90 Days

0

Quality

research
Quality
medium
Maturity
research

Categories

Evals & BenchmarkingPrimaryObservability & MonitoringInference & ServingModel TrainingSafety & AlignmentOther AI / ML

PM Skills

Data & Evaluation

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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