Alternatives and similar repositories for retrosynthesis:

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

• moyiming1 / Retrosynthesis-pathway-ranking
  ☆21Updated 4 years ago
• connorcoley / retrotemp
  Retrosynthesis by template prediction (a la Segler and Waller)
  ☆29Updated 6 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆34Updated last year
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆40Updated 4 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆57Updated 6 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• eloyfelix / blog_notebooks
  blogpost notebooks
  ☆20Updated 4 years ago
• wzxxxx / MGA
  MGA
  ☆42Updated 4 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• papercodekl / MolecularGET
  ☆14Updated 5 years ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• NU-CUCIS / CheMixNet
  Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations
  ☆23Updated 5 years ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆34Updated last year
• m-mokaya / RIOP
  ☆17Updated last year
• jsschreck / retroRL
  Learning retrosynthetic pathway design using simulated experience
  ☆18Updated 5 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆75Updated last year
• MolecularAI / MolBART
  Pretrained SMILES transformation model for finetuning for diverse molecular tasks.
  ☆44Updated 3 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆19Updated 7 months ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago