Topic: "single-step-retrosynthesis"
hasic-haris/one_step_retrosynth_ai
This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.
Language: Python - Size: 234 MB - Last synced at: almost 2 years ago - Pushed at: about 4 years ago - Stars: 17 - Forks: 3
Academich/translation-transformer
An implementation of the encoder-decoder transformer for SMILES-to-SMILES translation tasks with inference accelerated by speculative decoding
Language: Python - Size: 1.58 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 4 - Forks: 0
fangleigit/RetroSub
Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures
Language: Jupyter Notebook - Size: 1.55 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 3 - Forks: 0
