Alternatives and similar repositories for DeepTernary

Users that are interested in DeepTernary are comparing it to the libraries listed below

• iipharma / transpharmer-repo
  ☆41Updated 10 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆51Updated 3 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 7 months ago
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆35Updated 2 years ago
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆34Updated last year
• jiaxianyan / DeltaDock
  ☆27Updated last year
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆31Updated 10 months ago
• MolecularAI / PepINVENT
  ☆59Updated this week
• hnlab / BindingNet
  ☆26Updated last year
• LondonLab / PRosettaC
  ☆33Updated 3 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• stonewiseAIDrugDesign / Lingo3DMol
  ☆60Updated 2 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 6 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆23Updated last year
• SongXia-NYU / DiffDock-NMDN
  ☆17Updated last year
• THGLab / LP-PDBBind
  ☆61Updated 6 months ago
• monterosatx / gloop-mining
  Code used in paper for G-loop mining.
  ☆20Updated 11 months ago
• karanicolaslab / PROTAC_ternary
  ☆19Updated 3 years ago
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
  ☆39Updated 6 months ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆55Updated 2 years ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• ZhiGroup / FDA
  Folding-Docking-Affinity framework for protein-ligand affinity prediction
  ☆28Updated 10 months ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• juanniwu / t-SMILES
  ☆39Updated 9 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• ninglab / DiffSMol
  ☆43Updated 6 months ago
• xuhuihuang / featuredock
  FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
  ☆39Updated last year
• oxpig / DEVELOP
  ☆56Updated last year