Alternatives and similar repositories for retrosynthesis:

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

• wangxr0526 / RetroPrime
  Code for Single-step Retrosynthesis model Retroprime
  ☆36Updated 3 years ago
• coleygroup / Graph2SMILES
  ☆53Updated last year
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• wangyu-sd / RetroExplainer
  RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …
  ☆65Updated last year
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆80Updated last month
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆34Updated 4 years ago
• Jamson-Zhong / Graph2Edits
  ☆29Updated last year
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆36Updated last year
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• jkwang93 / MCMG
  MCMG_V1
  ☆69Updated 2 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆31Updated 2 years ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆46Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated 10 months ago
• sw32-seo / GTA
  Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021
  ☆13Updated last year
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆73Updated 5 months ago
• otori-bird / DeepRetrosynthesis
  ☆25Updated last year
• uta-smile / SMILES-BERT
  ☆43Updated 4 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆40Updated last year
• oxpig / DEVELOP
  ☆56Updated 10 months ago
• wzxxxx / MGA
  MGA
  ☆42Updated 4 years ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆67Updated last month
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆171Updated 9 months ago
• ComputArtCMCG / PLANET
  ☆53Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆28Updated last year
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆40Updated 6 months ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆30Updated 7 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 9 months ago
• idrugLab / FP-GNN
  ☆59Updated last year