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
  ☆24Updated 3 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆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
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• coleygroup / rxn-ebm
  Energy-based modeling of chemical reactions
  ☆32Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• larngroup / DiverseDRL
  ☆12Updated 5 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• 20171130 / NERF
  Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
  ☆18Updated 4 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆43Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 4 months ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 5 months ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆30Updated 2 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• papercodekl / MolecularGET
  ☆16Updated 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
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆41Updated 2 years ago
• bm2-lab / DeepReac
  ☆18Updated 4 years ago
• sekijima-lab / mermaid
  ☆11Updated 4 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆39Updated 5 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 3 years ago
• silicos-it / qed
  The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
  ☆14Updated 3 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆23Updated 5 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• n-yoshikawa / retrosynthesis_bot
  Twitter retrosynthesis bot
  ☆13Updated 3 years ago