Retrosynthesis Prediction with an Iterative String Editing Model
☆34Dec 27, 2024Updated last year
Alternatives and similar repositories for editretro
Users that are interested in editretro are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆34Apr 21, 2024Updated 2 years ago
- ☆82May 21, 2024Updated 2 years ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆62Jun 29, 2023Updated 3 years ago
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆18May 10, 2026Updated 2 months ago
- ☆17May 25, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆22Aug 1, 2023Updated 2 years ago
- ☆13Jun 11, 2025Updated last year
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆23Nov 22, 2025Updated 8 months ago
- Precise reaction atom-to-atom mapping with LocalMapper☆51Jan 27, 2026Updated 6 months ago
- ☆293Feb 11, 2026Updated 5 months ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆84Nov 22, 2023Updated 2 years ago
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆14Jul 18, 2025Updated last year
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆170Jul 9, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆90Aug 5, 2024Updated last year
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆142Dec 10, 2022Updated 3 years ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- ☆23Dec 4, 2024Updated last year
- ☆28Sep 9, 2025Updated 10 months ago
- ☆23May 5, 2023Updated 3 years ago
- RXN for biochemical reactions☆76Oct 18, 2022Updated 3 years ago
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated 3 weeks ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 2 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆19Jun 1, 2024Updated 2 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆117Jan 27, 2026Updated 6 months ago
- [AAAI'25] GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion Generation☆24Jun 11, 2025Updated last year
- ☆16Aug 5, 2024Updated last year
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆56Jul 23, 2025Updated last year
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Jun 16, 2026Updated last month
- Package for Retrosynthetic Planning☆206Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Python package to atom map, correct and suggest enzymatic reactions☆46Apr 11, 2024Updated 2 years ago
- SMARTS sanitization☆34Mar 2, 2026Updated 4 months ago
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- Fast and accurate coarse-grained neural network molecular dynamics☆15Jul 13, 2026Updated 2 weeks ago
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆19Jul 7, 2026Updated 3 weeks ago
- ☆34Apr 23, 2026Updated 3 months ago