Alternatives and similar repositories for autofragdiff

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

• aivant / ShapeLinker
  ☆23Updated last year
• biomed-AI / DiffDec
  ☆35Updated last year
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• DrugAI / ACNet
  ☆16Updated 3 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• CQ-zhang-2016 / Rag2Mol
  Structure-based drug design based on Retrieval Augmented Generation
  ☆17Updated 9 months ago
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆30Updated last year
• AtomwiseInc / cslvae
  Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …
  ☆14Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• ashipiling / GPT_3DSMILES
  ☆27Updated 6 months ago
• oxpig / MolSnapper
  ☆48Updated 2 months ago
• iipharma / transpharmer-repo
  ☆36Updated 3 months ago
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆31Updated 3 years 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 6 months ago
• SigmaGenX / TamGen
  ☆36Updated last month
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆15Updated 6 months ago
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆65Updated 3 months ago
• hnlab / BindingNet
  ☆25Updated last year
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆13Updated last year
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated 4 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆14Updated 3 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆18Updated 8 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆35Updated last month