Alternatives and similar repositories for tied-twoway-transformer:

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

• coleygroup / Graph2SMILES
  ☆55Updated last year
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆34Updated last year
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 4 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆32Updated 2 years ago
• papercodekl / MolecularGET
  ☆15Updated 5 years ago
• wangxr0526 / RetroPrime
  Code for Single-step Retrosynthesis model Retroprime
  ☆38Updated 4 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• DrugAI / ACNet
  ☆14Updated 2 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 6 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• 20171130 / NERF
  Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
  ☆18Updated 3 years ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆19Updated 2 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated 2 weeks ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 2 years ago
• coleygroup / openretro
  ☆24Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆31Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago