Alternatives and similar repositories for reactiondataextractor2:

Users that are interested in reactiondataextractor2 are comparing it to the libraries listed below

• CrystalEye42 / OpenChemIE
  ☆61Updated 7 months ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆30Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• zw-SIMM / SFTLLMs_for_ChemText_Mining
  ☆25Updated 5 months ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆31Updated 8 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆45Updated last month
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆68Updated 2 months ago
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆44Updated 2 years ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆59Updated 8 months ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆24Updated 7 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆43Updated 2 months ago
• thomas0809 / RxnScribe
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆63Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 4 months ago
• OBrink / DECIMER.ai
  This repository contains the code for https://decimer.ai
  ☆40Updated last year
• ninglab / G2Retro
  ☆19Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆73Updated last year
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆17Updated 3 years ago
• jfjoung / mechanism_prediction
  ☆19Updated 7 months ago
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated 10 months ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆42Updated this week
• edbeard / ChemSchematicResolver
  Python toolkit for resolving chemical schematic diagrams.
  ☆39Updated 4 years ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆19Updated 2 months ago
• markmartorilopez / OChemR
  From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…
  ☆53Updated last year
• coleygroup / sparrow
  ☆43Updated 3 weeks ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆57Updated last year
• qai222 / LLM_organic_synthesis
  ☆25Updated 9 months ago
• onecoinbuybus / chemoinformatics
  ☆48Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated 9 months ago
• yanfeiguan / QM_descriptors_calculation
  ☆15Updated 3 years ago