ADMET-AI
Source-scoped research method · Confirm distribution and exact release
ADMET-AI — admet-property-prediction
Research / method authors
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Trouvez des modèles, des logiciels de recherche, des outils de support et du matériel. Utilisez des filtres pour le type d’entrée, le mode d’accès ou le rôle de l’IA.
23 produits correspondants · 23 produits sur la page 1. Les filtres s'appliquent à l'ensemble du catalogue.
Source-scoped research method · Confirm distribution and exact release
ADMET-AI — admet-property-prediction
Research / method authors
Research AI model / method · Research code or publication
Chemical foundation model for learned molecular representations, property prediction and conditional mole
Luo Lab
Research AI model / method · Research code or publication
Diffusion-based ligand molecule generation constrained by specified pocket and pharmacophore interactions
Sekijima Lab
Source-scoped research method · Confirm distribution and exact release
DiffSBDD — structure-conditioned-molecular-generation
Research / method authors
Source-scoped research method · Confirm distribution and exact release
Pocket2Mol — structure-conditioned-molecular-generation
Research / method authors
Source-scoped research method · Confirm distribution and exact release
TargetDiff — structure-conditioned-molecular-generation
Research / method authors
Commercial Platform · Commercial Subscription & Co-Development
Integrated generative AI platform from target discovery to clinical candidate design
Insilico Medicine
Open Source Software · Open Source
High-throughput molecular docking and virtual screening software
Scripps Research Institute
AI Model · Open Source
Large-scale chemical language foundation model for molecular property prediction
IBM Research
Commercial Software · Commercial License
The gold-standard computational platform combining physics-based modeling and machine learning
Schrödinger
Research software / framework · Public code / project terms
Computer-aided organic synthesis planning
MIT / MLPDS Consortium
Research software / framework · Public code / project terms
Learned comparison of protein binding-site structures
BenevolentAI / DeeplyTough authors
Commercial research software · Provider account / licence
Commercial AI-assisted small-molecule design
Insilico Medicine
Commercial research software · Provider account / licence
AI-assisted generation and prioritization of small molecules
deepmirror
Research software / model · Public code / project terms
Diffusion-based protein-ligand docking
DiffDock authors and contributors
Research software / model · Public code / project terms
Geometric deep-learning prediction of ligand binding poses
EquiBind authors
Research software / model · Public code / project terms
Molecular docking with convolutional neural-network scoring
GNINA contributors
Commercial research software · Provider account / licence
AI-assisted target identification and prioritization
Insilico Medicine
Research software / model · Public code / project terms
Generative molecular design and optimization
AstraZeneca / MolecularAI contributors
Research software / model · Public code / project terms
Learning molecular representations from three-dimensional conformations
DeepModeling / Uni-Mol contributors
Research software / model · Public code
Computer-assisted retrosynthetic planning
AstraZeneca
Research software / model · Public code
Message-passing molecular property prediction
Chemprop contributors
