repoGitHubTrust 82 · PrimaryPublished 2mo agoLive · 13d ago
Acellera/moleculekit
MoleculeKit: Your favorite molecule manipulation kit
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Paper → model → repo connections mined from source citations (Tier-1 exact match).
Why these links exist
Every edge carries a method, confidence, and the source snippet that justified it — so bad links are debuggable.
- PossiblePossibly related (embedding) · 52%Efficient and valid large molecule generation via self-supervised generative models - Nature →
- PossiblePossibly related (embedding) · 49%SynLaD: Latent Diffusion for Generating Synthesizable Molecules Conditioned on 3D Pharmacophore Profiles →
- PossiblePossibly related (embedding) · 46%How a Google DeepMind Spin-off Hunts Hidden Drug Targets →
- PossiblePossibly related (embedding) · 47%Machine learning force fields reveal carboxylate ligand binding on CdSe quantum dots - Bioengineer.org →
- PossiblePossibly related (embedding) · 58%RetroChimera: New research advances AI-assisted molecule synthesis - Microsoft Source →
- PossiblePossibly related (embedding) · 50%Improving synthesis prediction of small molecules at scale with RetroChimera - Microsoft →
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Related across the graph
paperSynLaD: Latent Diffusion for Generating Synthesizable Molecules Conditioned on 3D Pharmacophore ProfilesnewsHow a Google DeepMind Spin-off Hunts Hidden Drug TargetsnewsEfficient and valid large molecule generation via self-supervised generative models - NaturenewsMachine learning force fields reveal carboxylate ligand binding on CdSe quantum dots - Bioengineer.orgnewsRetroChimera: New research advances AI-assisted molecule synthesis - Microsoft SourcenewsImproving synthesis prediction of small molecules at scale with RetroChimera - Microsoft