Alternatives and similar repositories for MolecularGET

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

• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 5 years ago
• m-mokaya / RIOP
  ☆16Updated 2 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 3 years ago
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• wangxr0526 / RetroPrime
  Code for Single-step Retrosynthesis model Retroprime
  ☆39Updated 4 years ago
• coleygroup / Graph2SMILES
  ☆60Updated last year
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• 20171130 / NERF
  Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
  ☆18Updated 4 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆52Updated 5 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆32Updated 3 months ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆28Updated last year
• PKUMDL-AI / AutoSynRoute
  ☆44Updated 5 years ago
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆45Updated 5 years ago
• zinph / Cheminformatics
  All the handy little scripts for cheminformatics related projects
  ☆34Updated 2 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆30Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆37Updated last year
• jkwang93 / MCMG
  MCMG_V1
  ☆75Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆21Updated 2 weeks ago
• conghaowang / GLDM
  ☆19Updated 8 months ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆20Updated 2 years ago