Alternatives and similar repositories for AI-Physics-DrugDiscovery:

Users that are interested in AI-Physics-DrugDiscovery are comparing it to the libraries listed below

• ComputArtCMCG / PLANET
  ☆57Updated last year
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆85Updated 4 months ago
• guaguabujianle / GIGN
  ☆38Updated last year
• THGLab / LP-PDBBind
  ☆38Updated last year
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆27Updated 2 months ago
• sc8668 / GenScore
  ☆32Updated 10 months ago
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆61Updated 4 months ago
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆32Updated last year
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆19Updated 3 months ago
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆31Updated 2 weeks ago
• briandasantini / cPEPmatch
  Tool to design cyclic peptides that mimic proteins and target their binding partners.
  ☆10Updated 8 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆52Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆38Updated 3 weeks ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆50Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆26Updated 11 months ago
• schrojunzhang / KarmaDock
  ☆107Updated 7 months ago
• DirectMolecularConfGen / DMCG
  ☆52Updated 2 years ago
• OdinZhang / SDEGen
  ☆22Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆15Updated last year
• CAODH / EquiScore
  ☆69Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆41Updated 9 months ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆47Updated last week
• kad-ecoli / mmCIF2BioLiP
  BioLiP2 database curation and web interface
  ☆23Updated last month
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆102Updated 4 months ago
• pgmikhael / clipzyme
  Reaction-Conditioned Virtual Screening of Enzymes
  ☆30Updated 4 months ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago