Alternatives and similar repositories for G2Retro

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

• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆46Updated 9 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆83Updated 2 weeks ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆76Updated 6 months ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆43Updated 5 months ago
• connorcoley / scscore
  ☆109Updated 4 years ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆82Updated 2 months ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆91Updated 4 years ago
• coleygroup / sparrow
  ☆60Updated 5 months ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆84Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆80Updated 2 years ago
• reymond-group / MultiStepRetrosynthesisTTL
  Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions
  ☆27Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆35Updated 3 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆48Updated 9 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• coleygroup / rdcanon
  SMARTS sanitization
  ☆32Updated 6 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆69Updated 11 months ago
• Jamson-Zhong / Graph2Edits
  ☆38Updated 2 years ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• Lung-Yi / AutoTemplate
  ☆23Updated last year
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 9 months ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆33Updated 2 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆29Updated last year
• otori-bird / retrosynthesis
  ☆74Updated last year
• MolecularAI / Lib-INVENT
  ☆61Updated 2 years ago
• molecule-generator-collection / ChemTSv2
  Refined and extended version of ChemTS
  ☆120Updated 4 months ago
• kaist-amsg / LocalRetro
  Retrosynthesis prediction for organic molecules with LocalRetro
  ☆104Updated last year