repoGitHubTrust 82 · PrimaryPublished 5d agoLive · 2h ago
AspirinCode/awesome-AI4MolConformation-MD
List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning
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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) · 62%Bridging three-dimensional molecular structures and artificial intelligence with a conformation description language →
- PossiblePossibly related (embedding) · 56%How a Google DeepMind Spin-off Hunts Hidden Drug Targets →
- PossiblePossibly related (embedding) · 56%A near-autonomous AI chemist improves a challenging reaction in medicinal chemistry →
- PossiblePossibly related (embedding) · 55%Data-driven surrogates of rational design enable antimicrobial peptide optimization →
- PossiblePossibly related (embedding) · 54%Efficient and valid large molecule generation via self-supervised generative models - Nature →
- PossiblePossibly related (embedding) · 53%Artificial intelligence in oncology drug discovery: from target identification to therapeutic molecule generation - EurekAlert! →
Covers
newsBridging three-dimensional molecular structures and artificial intelligence with a conformation description languagenewsHow a Google DeepMind Spin-off Hunts Hidden Drug TargetsnewsA near-autonomous AI chemist improves a challenging reaction in medicinal chemistrynewsData-driven surrogates of rational design enable antimicrobial peptide optimizationnewsEfficient and valid large molecule generation via self-supervised generative models - Nature
Covers (incoming)
Related across the graph
newsHow a Google DeepMind Spin-off Hunts Hidden Drug TargetsnewsData-driven surrogates of rational design enable antimicrobial peptide optimizationnewsEfficient and valid large molecule generation via self-supervised generative models - NaturenewsArtificial intelligence in oncology drug discovery: from target identification to therapeutic molecule generation - EurekAlert!newsA near-autonomous AI chemist improves a challenging reaction in medicinal chemistrynewsBridging three-dimensional molecular structures and artificial intelligence with a conformation description language