Retrosynthesis Prediction with an Iterative String Editing Model
☆30Dec 27, 2024Updated last year
Alternatives and similar repositories for editretro
Users that are interested in editretro are comparing it to the libraries listed below
Sorting:
- ☆78May 21, 2024Updated last year
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆27Jul 2, 2024Updated last year
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆31Apr 21, 2024Updated last year
- ☆16May 25, 2025Updated 9 months ago
- SMARTS sanitization☆32Mar 2, 2026Updated last week
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆17Dec 26, 2024Updated last year
- ☆22May 5, 2023Updated 2 years ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆43Apr 11, 2024Updated last year
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆84Nov 22, 2023Updated 2 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆165Jul 9, 2022Updated 3 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆47Jan 27, 2026Updated last month
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆27Feb 25, 2026Updated last week
- ☆22Aug 1, 2023Updated 2 years ago
- ☆23Dec 4, 2024Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆86Aug 5, 2024Updated last year
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆18Jun 1, 2024Updated last year
- fuses molecular language and graph representation for property prediction☆23Jun 1, 2024Updated last year
- ☆51Aug 8, 2022Updated 3 years ago
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Apr 13, 2025Updated 10 months ago
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆24Aug 4, 2023Updated 2 years ago
- Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)☆26May 5, 2025Updated 10 months ago
- Tools to train synthesis prediction models☆29Feb 11, 2026Updated 3 weeks ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆34Mar 26, 2024Updated last year
- Prediction molecular structure from NMR spectra☆39Mar 19, 2024Updated last year
- ☆284Feb 11, 2026Updated 3 weeks ago
- RXN for biochemical reactions☆73Oct 18, 2022Updated 3 years ago
- 该项目需将多个eis数据（包含频率、实部、虚部）汇总到一个excel表格中（每个sheet一份数据），可将多个eis数据批量转化为DRT图谱。☆19Sep 19, 2024Updated last year
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆64Feb 3, 2026Updated last month
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 2 years ago
- Python agent-based model tool for inference, visualization and analysis of cell-cell communication from single-cell data☆35Nov 28, 2025Updated 3 months ago
- Esp32 (host) to Esp32 (target) serial flasher☆13Oct 6, 2022Updated 3 years ago
- ☆31Nov 15, 2022Updated 3 years ago
- ☆40Jul 8, 2023Updated 2 years ago
- Transformer-based model for chemical reactions☆93Jan 14, 2026Updated last month
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆272Jan 9, 2025Updated last year
- Code for Single-step Retrosynthesis model Retroprime☆40Apr 27, 2021Updated 4 years ago
- ☆36Updated this week
- Find who's not following you back on Instagram☆15Dec 9, 2025Updated 3 months ago