Alternatives and similar repositories for SynTemp

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

• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆22Updated last month
• w-jaworski / AtomMap
  ☆13Updated 2 years ago
• gfm-collab / chemprop-IR
  ☆26Updated 4 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆28Updated last year
• knu-lcbc / MolForge
  ☆27Updated 2 years ago
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆22Updated 2 years ago
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆24Updated 3 weeks ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆72Updated 6 months ago
• sergsb / IUPAC2Struct
  IUPAC2Struct
  ☆36Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆88Updated last year
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆82Updated 9 months ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆90Updated 4 years ago
• coleygroup / Graph2SMILES
  ☆62Updated last year
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆19Updated 4 years ago
• Laboratoire-de-Chemoinformatique / RDTool
  Optimized version of the Reaction Decoder Tool (RDTool)
  ☆18Updated 5 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• ninglab / G2Retro
  ☆21Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• wzhstat / Reaction-Condition-Selector
  This repository contains a reaction condition selector.
  ☆10Updated 6 months ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆42Updated 6 months ago
• reymond-group / mhfp
  Molecular MHFP fingerprints for cheminformatics applications
  ☆92Updated 2 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆47Updated 5 years ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆27Updated 3 months ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆61Updated 3 weeks ago