ADMET-AI
Source-scoped research method · Confirm distribution and exact release
ADMET-AI — admet-property-prediction
Research / method authors
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Computational chemistry, molecular design and AI-assisted pharmaceutical discovery.
23 productos coincidentes · 23 productos en la página 1. Los filtros buscan en todo el catálogo.
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
