Alternatives and similar repositories for Rxn-INSIGHT

Users that are interested in Rxn-INSIGHT are comparing it to the libraries listed below

• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆56Updated 5 months ago
• coleygroup / sparrow
  ☆51Updated last month
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆61Updated 11 months ago
• coleygroup / rdcanon
  SMARTS sanitization
  ☆25Updated this week
• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 3 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 7 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆72Updated 2 weeks ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆67Updated this week
• hutchisonlab / QupKake
  Machine Learning model for molecular micro-pKa prediction
  ☆41Updated 8 months ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• rdkit / UGM_2024
  13th RDKit UGM. 11-13 September in Zurich, Switzerland
  ☆25Updated 6 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆43Updated 4 years ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆44Updated last month
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆25Updated last year
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 2 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆69Updated 2 months ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆47Updated 2 years ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆40Updated 9 months ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆60Updated 2 months ago
• samplchallenges / SAMPL9
  ☆29Updated last year
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆13Updated 2 months ago
• pfizer-opensource / TorsionNet
  A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
  ☆39Updated 2 years ago
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆35Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated last year