Alternatives and similar repositories for DeepTernary:

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

• CQ-zhang-2016 / Rag2Mol
  Structure-based drug design based on Retrieval Augmented Generation
  ☆16Updated 6 months ago
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated protein degradation complexes using AlphaFold3.
  ☆19Updated this week
• yasminenahal / hitl-al-gomg
  Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…
  ☆14Updated this week
• zaixizhang / MolCode
  Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design
  ☆8Updated last year
• smiles724 / MROT
  ☆12Updated 2 years ago
• bowen-gao / ProFSA
  [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
  ☆12Updated 10 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• MolFilterGAN / MolFilterGAN
  ☆14Updated 2 years ago
• SigmaGenX / TamGen
  ☆31Updated 5 months ago
• zchwang / IGModel
  This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.
  ☆18Updated 3 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated 11 months ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆12Updated last year
• qwang897 / PATHpre
  ☆16Updated 6 months ago
• conghaowang / GLDM
  ☆16Updated 4 months ago
• BaoJingxiao / DeepBSP
  Deep Binding Structure RMSD Prediction
  ☆22Updated 4 years ago
• zhangruochi / MolFeSCue
  ☆11Updated 10 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 5 years ago
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆28Updated last year
• biomed-AI / DiffDec
  ☆33Updated 10 months ago
• Shen-Lab / CPAC
  [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction
  ☆15Updated 10 months ago
• hnlab / BindingNet
  ☆25Updated 9 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆12Updated 11 months ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated 5 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆12Updated 4 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• smiles724 / InstructMol
  ☆12Updated last year
• OdinZhang / SDEGen
  ☆22Updated last year