Alternatives and similar repositories for LocalMapper

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

• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆83Updated last year
• connorcoley / scscore
  ☆107Updated 4 years ago
• Lung-Yi / AutoTemplate
  ☆23Updated 11 months ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• ninglab / G2Retro
  ☆22Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆58Updated 2 years ago
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆19Updated 2 years ago
• Jamson-Zhong / Graph2Edits
  ☆36Updated 2 years ago
• kaist-amsg / LocalRetro
  Retrosynthesis prediction for organic molecules with LocalRetro
  ☆102Updated last year
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆88Updated 6 months ago
• otori-bird / retrosynthesis
  ☆71Updated last year
• CrystalEye42 / OpenChemIE
  ☆84Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆72Updated 5 months ago
• jfjoung / mechanism_prediction
  ☆30Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆39Updated 5 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆34Updated 3 years ago
• dan2097 / patent-reaction-extraction
  Text mining of chemical reactions
  ☆111Updated last year
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆90Updated 4 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆82Updated 4 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆84Updated 7 months ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆42Updated 3 months ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆48Updated 7 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 5 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆76Updated 3 weeks ago
• coleygroup / sparrow
  ☆58Updated 4 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆64Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated 11 months ago