yuqianghan / editretro
Retrosynthesis Prediction with an Iterative String Editing Model
☆18Updated 3 months ago
Alternatives and similar repositories for editretro:
Users that are interested in editretro are comparing it to the libraries listed below
- Contains results and data from Augmented Transformer article☆38Updated 4 years ago
- ☆69Updated 11 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆72Updated 8 months ago
- Transformer-based model for chemical reactions☆76Updated this week
- ☆21Updated 9 months ago
- Precise reaction atom-to-atom mapping with LocalMapper☆34Updated 3 weeks ago
- ☆27Updated last year
- ☆55Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆33Updated 2 years ago
- ☆69Updated 9 months ago
- Predicting Organic Reactivity with LocalTransform☆45Updated 3 weeks ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆94Updated 10 months ago
- ☆46Updated 2 years ago
- ☆30Updated 2 years ago
- Text mining of chemical reactions☆98Updated 5 months ago
- The implementation of Modof for Molecule Optimization☆28Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆71Updated last year
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆21Updated 9 months ago
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆24Updated last year
- ☆53Updated 3 years ago
- ☆97Updated 2 years ago
- ☆95Updated 4 years ago
- ☆24Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated 9 months ago
- ☆60Updated last year
- ☆65Updated 3 years ago
- ☆18Updated 4 months ago
- Code for Single-step Retrosynthesis model Retroprime☆38Updated 3 years ago
- Implementation of MolSearch paper☆22Updated last year
- ☆53Updated 2 years ago