Alternatives and similar repositories for Rag2Mol

Users that are interested in Rag2Mol are comparing it to the libraries listed below

• egg5154 / MolSculptor
  ☆20Updated 2 weeks ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆15Updated 8 months ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆19Updated 10 months ago
• hnlab / BindingNet
  ☆25Updated last year
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• smiles724 / MROT
  ☆12Updated 3 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆26Updated last month
• MolFilterGAN / MolFilterGAN
  ☆14Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆27Updated 5 months ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated last year
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated 11 months ago
• iipharma / transpharmer-repo
  ☆39Updated 5 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• drorlab / GLOW_IVES
  ☆15Updated last year
• 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.
  ☆19Updated 8 months ago
• biomed-AI / DiffDec
  ☆37Updated last year
• oxpig / MolSnapper
  ☆51Updated 4 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• joewah / PheSAExamples
  ☆11Updated last year
• aivant / ShapeLinker
  ☆23Updated last year
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
  ☆31Updated 2 months ago
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆20Updated 3 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆40Updated 3 months ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 3 months ago
• molML / traversing_chem_space
  ☆27Updated last year