Alternatives and similar repositories for LocalMapper

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

• jfjoung / mechanism_prediction
  ☆28Updated last year
• ninglab / G2Retro
  ☆21Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆59Updated last year
• otori-bird / retrosynthesis
  ☆70Updated last year
• Lung-Yi / AutoTemplate
  ☆20Updated 8 months ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆81Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 2 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆47Updated 5 months ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• kaist-amsg / LocalRetro
  Retrosynthesis prediction for organic molecules with LocalRetro
  ☆99Updated last year
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆81Updated 4 months ago
• Jamson-Zhong / Graph2Edits
  ☆33Updated 2 years ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• connorcoley / scscore
  ☆105Updated 4 years ago
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆18Updated 2 years ago
• CrystalEye42 / OpenChemIE
  ☆78Updated last year
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 5 years ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆15Updated 5 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 2 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated last month
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆26Updated 2 months ago
• KeenThera / SECSE
  Systemic Evolutionary Chemical Space Exploration for Drug Discovery
  ☆84Updated 2 weeks ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆99Updated 9 months ago
• THGLab / LP-PDBBind
  ☆49Updated last month
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆43Updated last year
• thomas0809 / RxnScribe
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆83Updated last year
• juanniwu / t-SMILES
  ☆35Updated 4 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆66Updated 8 months ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆42Updated last month