modify from askcos context recommendition
-
Updated
Jan 4, 2024 - Python
modify from askcos context recommendition
Asynchronous chemoenzymatic retrosynthesis
Toolkit for chemical synthesis planning
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.
modify original aizynthfinder code for end-user
A repository for evaluating single-step retrosynthesis algorithms
Supporting code for the "Autonomous retrosynthesis of gold nanoparticles via spectral shape matching" paper. DOI : 10.1039/D2DD00025C
A command-line tool for simple, single-step retrosynthetic reaction prediction using graph partitioning.
A web application to display the retrosynthetic reaction pathway using FLASK
Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions
Energy-based modeling of chemical reactions
RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability
Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
Retrosynthesis prediction for organic molecules with LocalRetro
Add a description, image, and links to the retrosynthesis topic page so that developers can more easily learn about it.
To associate your repository with the retrosynthesis topic, visit your repo's landing page and select "manage topics."