Alternatives and similar repositories for tied-twoway-transformer

Users that are interested in tied-twoway-transformer are comparing it to the libraries listed below

• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 2 years ago
• tsa87 / semi-jtvae
  Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…
  ☆12Updated 2 years ago
• ChloeKong / RG-MPNN
  ☆18Updated 3 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆19Updated 11 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• larngroup / DiverseDRL
  ☆12Updated 4 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• ZiqiaoZhang / FraGAT
  FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
  ☆27Updated 4 years ago
• n-yoshikawa / retrosynthesis_bot
  Twitter retrosynthesis bot
  ☆13Updated 3 years ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆23Updated 8 months ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• jcheminform / fpadmet
  ☆9Updated 3 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• zielesny / ErtlFunctionalGroupsFinder
  ErtlFunctionalGroupsFinder for CDK
  ☆18Updated last year
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆37Updated 4 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆36Updated last year
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆18Updated 3 years ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years 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
• sw32-seo / GTA
  Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021
  ☆13Updated 2 years ago
• PaccMann / paccmann_chemistry
  Generative models of chemical data for PaccMann^RL
  ☆14Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated 2 months ago
• Abdulk084 / CardioTox
  ☆19Updated 6 months ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆21Updated 4 years ago
• wangxr0526 / RetroPrime
  Code for Single-step Retrosynthesis model Retroprime
  ☆39Updated 4 years ago