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Scientific ML Libraries & Supporting Tools

Open Drug Discovery Toolkit

ODDT contributors
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CategoryScientific ML Libraries & Supporting Tools
CompanyODDT contributors
PriceSee project terms; compute costs may apply
StatusStatus not confirmed
AvailabilitySee project access and maintenance status
Last checked16/09/2026
FeaturesPython tooling for cheminformatics and molecular modeling, Input: Molecular structures and configured analysis tasks, Output: Descriptors and molecular-analysis results
Entry typeSupporting software
Access modePublic code / project terms
AI roleSupporting analysis; not an AI model
Input dataMolecular structures and configured analysis tasks
Output dataDescriptors and molecular-analysis results
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
LimitationsA modular toolkit rather than a single AI model; downstream scoring needs task-specific validation.
Evidence levelProject or provider documentation; no local performance benchmark