wangxr0526 / ParrotLinks
Implementation of reaction condition prediction with Parrot
☆16Updated last year
Alternatives and similar repositories for Parrot
Users that are interested in Parrot are comparing it to the libraries listed below
Sorting:
- The code corresponding to Transfer Learning for a Foundational Chemistry Model☆12Updated last year
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- ☆28Updated last year
- A simple molecule fragmentation method.☆37Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- The implementation of Modof for Molecule Optimization☆29Updated 2 years ago
- ☆23Updated 3 years ago
- ☆22Updated 2 years ago
- Implementation of MolSearch paper☆22Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆47Updated 5 years ago
- ☆16Updated 3 years ago
- ☆22Updated 4 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- ☆21Updated 2 years ago
- Contains results and data from Augmented Transformer article☆39Updated 5 years ago
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆13Updated 7 months ago
- Molecular SMILE generation with recurrent neural networks☆20Updated 3 months ago
- ☆63Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- ☆26Updated last year
- source code for deppHop☆36Updated 3 years ago
- Deep learning for compound price prediction☆19Updated last year
- Bias-controlled 3D generative framework for structure-based ligand design☆17Updated 2 years ago
- ☆26Updated 2 years ago
- ☆25Updated 5 years ago
- ☆26Updated 2 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Updated last year
- ☆15Updated 3 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Code for Single-step Retrosynthesis model Retroprime☆40Updated 4 years ago