Alternatives and similar repositories for alpha-Extractor

Users that are interested in alpha-Extractor are comparing it to the libraries listed below

• quantaosun / notebook
  My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…
  ☆26Updated last week
• hnlab / BindingNet
  ☆25Updated last year
• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• jidushanbojue / YaSAScore
  Prediction of compound synthesis accessibility bashed on reaction knowledge graph
  ☆18Updated 3 years ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆63Updated last year
• Academich / reaction_space_ptsne
  Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.
  ☆16Updated 3 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 3 months ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• iipharma / transpharmer-repo
  ☆40Updated 7 months ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆64Updated last year
• smu-tao-group / ADMET_XGBoost
  Accurate ADMET Prediction with XGBoost
  ☆39Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆44Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• DS4SD / MarkushGrapher
  [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures
  ☆29Updated 2 weeks ago
• WangZiXubiubiu / SketchMol-v1
  Official implementation of SketchMol.
  ☆30Updated 8 months ago
• oxpig / DEVELOP
  ☆55Updated last year
• youqingxiaozhua / DeepTernary
  ☆36Updated 3 months ago
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated 2 years ago
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆60Updated 3 months ago
• otori-bird / retrosynthesis
  ☆71Updated last year
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆19Updated 4 years ago
• antwiser / OptADMET
  ☆10Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year