Alternatives and similar repositories for LocalMapper:

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

• jfjoung / mechanism_prediction
  ☆21Updated 9 months ago
• coleygroup / Graph2SMILES
  ☆55Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• Lung-Yi / AutoTemplate
  ☆17Updated 4 months ago
• ninglab / G2Retro
  ☆20Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆45Updated 3 weeks ago
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆18Updated last year
• otori-bird / retrosynthesis
  ☆69Updated 11 months ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 4 years ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆65Updated last week
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆32Updated 2 years ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆13Updated last month
• oxpig / DEVELOP
  ☆55Updated last year
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆72Updated 8 months ago
• wenhao-gao / synformer
  ☆42Updated 3 months ago
• snu-micc / MechFinder
  Finding organic reaction mechanism with reaction and mechanistic templates
  ☆19Updated 5 months ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• coleygroup / rdcanon
  SMARTS sanitization
  ☆25Updated last month
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆31Updated last year
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆24Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆51Updated last month
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 6 months ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆86Updated 4 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆76Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• Jamson-Zhong / Graph2Edits
  ☆31Updated last year
• CrystalEye42 / OpenChemIE
  ☆69Updated 9 months ago
• sc8668 / RTMScore
  ☆97Updated 2 years ago