Alternatives and similar repositories for G2Retro:

Users that are interested in G2Retro are comparing it to the libraries listed below

• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆36Updated last year
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆30Updated 8 months ago
• coleygroup / Graph2SMILES
  ☆53Updated last year
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆29Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆72Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆31Updated 2 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆67Updated last month
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆18Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆64Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆26Updated last year
• connorcoley / scscore
  ☆94Updated 4 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆79Updated 3 years ago
• jfjoung / mechanism_prediction
  ☆18Updated 6 months ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆60Updated last month
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆44Updated 2 years ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆41Updated this week
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆43Updated last month
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆46Updated 2 months ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆57Updated 7 months ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆38Updated 9 months ago
• otori-bird / retrosynthesis
  ☆66Updated 8 months ago
• oxpig / DEVELOP
  ☆56Updated 10 months ago
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆81Updated 2 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆57Updated last month
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 3 months ago
• Jamson-Zhong / Graph2Edits
  ☆29Updated last year
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆72Updated 5 months ago