Alternatives and similar repositories for DiffDec

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

• oxpig / MolSnapper
  ☆50Updated 2 months ago
• molML / traversing_chem_space
  ☆24Updated 11 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆26Updated 4 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 9 months ago
• aivant / ShapeLinker
  ☆23Updated last year
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆35Updated last month
• THGLab / SynLlama
  Code Space of SynLlama
  ☆21Updated last month
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• hnlab / BindingNet
  ☆26Updated last year
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆19Updated 8 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• ashipiling / GPT_3DSMILES
  ☆29Updated 3 weeks ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated 2 years ago
• Exscientia / plif_validity
  Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
  ☆18Updated 10 months ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• MolecularAI / maize-contrib
  Contributed and additional nodes for maize
  ☆16Updated 4 months ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 4 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated 5 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆15Updated 7 months ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆27Updated last month
• feiglab / idpgan
  ☆48Updated 7 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆50Updated 2 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆47Updated 6 months ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆29Updated 2 months ago
• SeonghwanSeo / OpenPharmaco
  Open-source protein-based pharmacophore modeling software
  ☆25Updated 5 months ago