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Scientific ML Libraries & Supporting Tools

TorchDrug

DeepGraphLearning / TorchDrug contributors
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CategoryScientific ML Libraries & Supporting Tools
CompanyDeepGraphLearning / TorchDrug contributors
PriceSee project terms; compute costs may apply
StatusStatus not confirmed
AvailabilitySee project access and maintenance status
Last checked16/09/2026
FeaturesMachine-learning toolbox for molecular graphs and drug research, Input: Molecular or protein datasets and task definitions, Output: Trained models, representations and predictions
Entry typeResearch software / model
Access modePublic code / project terms
AI roleScientific machine learning
Input dataMolecular or protein datasets and task definitions
Output dataTrained models, representations and predictions
Licence conditionsReview the linked release, model weights, datasets and service terms separately
Commercial eligibilityNot independently confirmed
Compute requirementsConsult linked installation guidance; workload dependent
ValidationEvaluate on representative data; no clinical suitability established
TypeNot recorded
Intended useBiological and pharmaceutical research
CompatibilityNot recorded
LimitationsFramework compatibility and dataset quality require review; a library does not provide validated drug candidates.
Evidence levelProject or provider documentation; no local performance benchmark