Official data repository for the Open Reaction Database
☆331Apr 21, 2026Updated last week
Alternatives and similar repositories for ord-data
Users that are interested in ord-data are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Schema for the Open Reaction Database☆109Updated this week
- Search/browse interface and APIs for the Open Reaction Database☆23Apr 1, 2026Updated last month
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆365Feb 13, 2026Updated 2 months ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆124Jul 14, 2025Updated 9 months ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 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.
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆85Mar 26, 2022Updated 4 years ago
- Text mining of chemical reactions☆112Nov 10, 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
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆87Aug 5, 2024Updated last year
- A tool for retrosynthetic planning☆822Apr 13, 2026Updated 2 weeks ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆167Jul 9, 2022Updated 3 years ago
- Synthesis generative model☆47Apr 24, 2025Updated last year
- 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
- Package for Retrosynthetic Planning☆195Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆23Nov 10, 2020Updated 5 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆92Apr 13, 2026Updated 2 weeks ago
- A package to identify matched molecular pairs and use them to predict property changes.☆283Jan 25, 2026Updated 3 months ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆24Dec 15, 2025Updated 4 months ago
- A Sequence Generation Model for Reaction Diagram Parsing☆111Sep 18, 2023Updated 2 years ago
- ☆69Nov 7, 2023Updated 2 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆207Aug 12, 2021Updated 4 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- Interactive molecule viewer for 2D structures☆253Dec 27, 2025Updated 4 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Software package for computer aided synthesis planning☆263Nov 27, 2023Updated 2 years ago
- ☆86Mar 12, 2018Updated 8 years ago
- SMARTS sanitization☆32Mar 2, 2026Updated 2 months ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- Library for processing molecules and reactions in python way☆49Apr 25, 2026Updated last week
- ☆105Feb 15, 2024Updated 2 years ago
- ☆22Jul 25, 2024Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆81Jun 1, 2025Updated 11 months ago
- 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.
- Python wrapper for the IBM RXN for Chemistry API☆242Dec 10, 2025Updated 4 months ago
- ☆24Aug 24, 2023Updated 2 years ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆839May 17, 2025Updated 11 months ago
- ☆67May 25, 2021Updated 4 years ago
- ☆421Apr 18, 2022Updated 4 years ago
- ChemDataExtractor Version 2.0☆193Mar 20, 2025Updated last year
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆126Jan 14, 2026Updated 3 months ago