Alternatives and similar repositories for RetroSub

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

• jkwang93 / ChemistGA
  ☆23Updated 2 years ago
• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 2 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• coleygroup / Graph2SMILES
  ☆59Updated last year
• juanniwu / t-SMILES
  ☆34Updated 4 months ago
• otori-bird / retrosynthesis
  ☆70Updated last year
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆32Updated 2 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated last year
• wangyu-sd / RetroExplainer
  RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …
  ☆76Updated last year
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆51Updated 2 years ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆38Updated 4 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆23Updated 9 months ago
• mhlee216 / MGCVAE
  Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…
  ☆34Updated 8 months ago
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆32Updated 4 years ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• otori-bird / DeepRetrosynthesis
  ☆27Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• smiles724 / ProtMD
  ☆64Updated last month
• oxpig / DEVELOP
  ☆55Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• divnori / Protac-Design
  UROP Project @ Coley Group
  ☆27Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆34Updated 2 years ago