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AI Drug Discovery

GNINA

GNINA contributors
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CategoryAI Drug Discovery
CompanyGNINA contributors
PriceSee project terms; compute costs may apply
StatusStatus not confirmed
AvailabilitySee project access and maintenance status
Last checked16/09/2026
FeaturesMolecular docking with convolutional neural-network scoring, Input: Prepared receptor and ligand structures, Output: Docked poses and scoring outputs
Entry typeResearch software / model
Access modePublic code / project terms
AI roleScientific machine learning
Input dataPrepared receptor and ligand structures
Output dataDocked poses and scoring outputs
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
LimitationsNeural scoring is not an experimental affinity measurement; input preparation affects results.
Evidence levelProject or provider documentation; no local performance benchmark