Alternatives and similar repositories for MolSearch:

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

• biomed-AI / DRlinker
  ☆23Updated 2 years ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆30Updated 3 years ago
• qiangbo1222 / Uni-RXN-official
  ☆26Updated 11 months ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated last year
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆32Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• m-mokaya / RIOP
  ☆17Updated last year
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• keiserlab / autofragdiff
  ☆27Updated 10 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 2 years ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆20Updated 4 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆41Updated 9 months ago
• CMACH508 / AlphaDrug
  AlphaDrug: Protein Target Specific De Novo Molecular Generation
  ☆40Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆57Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆37Updated 4 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• SigmaGenX / TamGen
  ☆31Updated 4 months ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• iipharma / transpharmer-repo
  ☆27Updated 9 months ago
• DirectMolecularConfGen / DMCG
  ☆52Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 3 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆27Updated 3 months ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆41Updated 2 years ago