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Scientific ML Libraries & Supporting Tools

RDKit

RDKit contributors
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CategoryScientific ML Libraries & Supporting Tools
CompanyRDKit contributors
PriceSee access and licence terms
StatusStatus not confirmed
AvailabilityPublic code
Last checked14/09/2026
FeaturesCheminformatics support for molecular workflows, Documented research workflow
Entry typeSupporting software
Access modePublic code
AI roleSupporting tool; not an AI model
Input dataMolecular structures
Output dataMolecular representations and descriptors
Licence conditionsCheck current distribution and dependency licences
Commercial eligibilityConfirm exact code, weights and data terms
Compute requirementsVersion and workload dependent; not independently benchmarked
ValidationEvaluate on representative held-out data
TypeNot recorded
Intended useNot recorded
CompatibilityNot recorded
Evidence levelProject documentation; no local benchmark