Alternatives and similar repositories for OpenChemIE:

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

• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆26Updated last year
• thomas0809 / RxnScribe
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆61Updated last year
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆57Updated 7 months ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆30Updated 7 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆68Updated 3 weeks ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆58Updated last month
• OBrink / DECIMER.ai
  This repository contains the code for https://decimer.ai
  ☆38Updated last year
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆44Updated 2 weeks ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆63Updated last year
• chython / chython
  Library for processing molecules and reactions in python way
  ☆41Updated 2 weeks ago
• markmartorilopez / OChemR
  From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…
  ☆51Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆70Updated last year
• connorcoley / scscore
  ☆95Updated 3 years ago
• czodrowskilab / x-fp
  ☆16Updated last year
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆73Updated 5 months ago
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆44Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆75Updated last year
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆57Updated 10 months ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆129Updated last month
• coleygroup / Graph2SMILES
  ☆53Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆72Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆25Updated 3 months ago
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆67Updated last month
• ninglab / G2Retro
  ☆18Updated last year
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆29Updated last year
• dan2097 / patent-reaction-extraction
  Text mining of chemical reactions
  ☆95Updated 2 months ago
• zw-SIMM / SFTLLMs_for_ChemText_Mining
  ☆24Updated 4 months ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆24Updated 6 months ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆47Updated 3 months ago