Retrosynthesis prediction for organic molecules with LocalRetro
☆115Jan 27, 2026Updated 3 months ago
Alternatives and similar repositories for LocalRetro
Users that are interested in LocalRetro are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆61Jun 29, 2023Updated 2 years ago
- ☆69Nov 7, 2023Updated 2 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆139Dec 10, 2022Updated 3 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 2 years ago
- ☆45May 12, 2020Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆80May 21, 2024Updated last year
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Feb 9, 2024Updated 2 years ago
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆47Jan 27, 2026Updated 3 months ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 3 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆365Feb 13, 2026Updated 2 months ago
- ☆16May 25, 2025Updated 11 months ago
- ☆22Aug 1, 2023Updated 2 years ago
- ☆67May 25, 2021Updated 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.
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- ☆10Dec 17, 2020Updated 5 years ago
- Predicting Organic Reactivity with LocalTransform☆52Mar 28, 2025Updated last year
- Package for Retrosynthetic Planning☆195Updated this week
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆36Sep 1, 2022Updated 3 years ago
- ☆86Mar 12, 2018Updated 8 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"☆62Mar 7, 2023Updated 3 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆167Jul 9, 2022Updated 3 years ago
- ☆421Apr 18, 2022Updated 4 years ago
- Retrosynthetic prediction with Atom Environments☆38May 30, 2023Updated 2 years ago
- A tool for retrosynthetic planning☆822Apr 13, 2026Updated 2 weeks ago
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Aug 10, 2022Updated 3 years ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- ☆291Feb 11, 2026Updated 2 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆87Aug 5, 2024Updated last year
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆137Aug 5, 2022Updated 3 years ago
- ☆51Aug 8, 2022Updated 3 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆13Oct 21, 2024Updated last year
- ☆43Aug 4, 2023Updated 2 years ago