Alternatives and similar repositories for LLM4Drug

Users that are interested in LLM4Drug are comparing it to the libraries listed below

• bytedance / DecompOpt
  ☆14Updated 9 months ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆24Updated this week
• iipharma / transpharmer-repo
  ☆37Updated 4 months ago
• jiaxianyan / DeltaDock
  ☆25Updated 10 months ago
• tsa87 / tacogfn
  [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design
  ☆11Updated 3 weeks ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆52Updated last month
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆32Updated 4 years ago
• Genentech / voxmol
  ☆19Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆34Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• HXYfighter / 3DMolFormer
  ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
  ☆25Updated 3 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆74Updated 3 weeks ago
• youqingxiaozhua / DeepTernary
  ☆31Updated 2 weeks ago
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆44Updated 2 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• yydiao1025 / Macformer
  ☆35Updated 2 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 8 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆26Updated 4 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated last week
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• molML / RUSH
  ☆14Updated 5 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• ashipiling / GPT_3DSMILES
  ☆29Updated 3 weeks ago
• SigmaGenX / TamGen
  ☆36Updated 2 months ago
• juanniwu / t-SMILES
  ☆34Updated 4 months ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆61Updated 4 months ago
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
  ☆27Updated 3 weeks ago