Alternatives and similar repositories for MultiStepRetrosynthesisTTL

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

• clinfo / ReTReK
  ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge
  ☆35Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆31Updated 3 years ago
• reymond-group / CASP-and-dataset-performance
  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
  ☆48Updated 4 years ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆85Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆29Updated last year
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆43Updated 6 months ago
• coleygroup / rdcanon
  SMARTS sanitization
  ☆32Updated 8 months ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆64Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆87Updated last month
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆29Updated last year
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆70Updated 7 months ago
• coleygroup / sparrow
  ☆62Updated 7 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆48Updated 5 years ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆66Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆53Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆79Updated 7 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆53Updated 11 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆82Updated 3 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆70Updated last week
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆36Updated 3 years ago
• syngenta / linchemin
  Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …
  ☆44Updated 8 months ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆42Updated last month
• chython / chython
  Library for processing molecules and reactions in python way
  ☆46Updated 2 weeks ago
• MolecularAI / Lib-INVENT
  ☆64Updated 2 years ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• oxpig / ChemIQ
  ☆35Updated 6 months ago
• schwallergroup / minerva
  ☆19Updated last month