reaction-prediction | Topic | Ecosyste.ms: Repos

Topic: "reaction-prediction"

Predicting Organic Reactivity with LocalTransform

Language: Jupyter Notebook - Size: 140 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 44 - Forks: 6

A web application to display the retrosynthetic reaction pathway using FLASK

Language: Python - Size: 2.55 MB - Last synced at: 11 months ago - Pushed at: almost 5 years ago - Stars: 7 - Forks: 4

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 2 months ago - Pushed at: about 2 months ago - Stars: 4 - Forks: 0

Official implementation of "A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning"

Language: Jupyter Notebook - Size: 1.37 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 2 - Forks: 0

Sample app for visualizing profiles caused by different differential equations

Language: Python - Size: 37 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 2 - Forks: 0