The intend is to solve the forward-reaction prediction problem, where the reactants are known and the interest is in generating the reaction products using Deep learning. This Graphical User Interface takes simplified molecular-input line-entry system (SMILES) as an input and generates the product SMILE & molecule.
Beam search is used in Version 2, to generate top 5 predictions.
Maximum input length for the model is 15 (excluding spaces).
Features
- Cheminformatics
- Neural Networks
- NLP
- Deep Learning
- Python
- Qt
- SMILES
Project Samples
License
MIT LicenseFollow CRP - Chemical Reaction Prediction
You Might Also Like
Gen AI apps are built with MongoDB Atlas
MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of CRP - Chemical Reaction Prediction!