Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
☆127Jul 14, 2025Updated last year
Alternatives and similar repositories for ORDerly
Users that are interested in ORDerly are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official data repository for the Open Reaction Database☆343Updated this week
- Schema for the Open Reaction Database☆110Updated this week
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆98Apr 13, 2026Updated 3 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆56Jul 23, 2025Updated last year
- 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.
- A repository for evaluating single-step retrosynthesis algorithms☆20Jul 23, 2024Updated 2 years ago
- SMARTS sanitization☆34Mar 2, 2026Updated 4 months ago
- Search/browse interface and APIs for the Open Reaction Database☆23Updated this week
- Package for Retrosynthetic Planning☆206Updated this week
- ☆23Dec 4, 2024Updated last year
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 2 years ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- ☆88Jan 11, 2025Updated last year
- 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.
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆381Feb 13, 2026Updated 5 months ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- Flow Matching for Electron Redistribution☆150May 29, 2026Updated last month
- Computer-aided synthesis planning☆56Jul 12, 2026Updated 2 weeks ago
- Text mining of chemical reactions☆113Nov 10, 2024Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆90Aug 5, 2024Updated last year
- Official implementation of "A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis pl…☆52Jun 25, 2026Updated last month
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years 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.
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion☆227Apr 10, 2026Updated 3 months ago
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆14Oct 21, 2024Updated last year
- This is the offical code of the paper "Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model"☆49Dec 12, 2025Updated 7 months ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆188Sep 18, 2023Updated 2 years ago
- Predicting Organic Reactivity with LocalTransform☆53Mar 28, 2025Updated last year
- ☆12Jun 14, 2022Updated 4 years ago
- ☆17Oct 1, 2025Updated 9 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.
- ☆23Jan 25, 2023Updated 3 years ago
- Code for training machine learning model for reaction condition prediction☆48Apr 30, 2020Updated 6 years ago
- Molecular filtering for drug discovery.☆75May 19, 2025Updated last year
- ☆20Mar 24, 2025Updated last year
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆23Sep 20, 2021Updated 4 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆117Jan 27, 2026Updated 6 months ago
- Multimodal aid for mining of chemical reactions from PDFs☆39Jun 25, 2025Updated last year