Schema for the Open Reaction Database
☆109Jul 3, 2025Updated 8 months ago
Alternatives and similar repositories for ord-schema
Users that are interested in ord-schema are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Search/browse interface and APIs for the Open Reaction Database☆23Feb 17, 2026Updated last month
- Official data repository for the Open Reaction Database☆326Updated this week
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆21Sep 20, 2021Updated 4 years ago
- ☆23Nov 10, 2020Updated 5 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆125Jul 14, 2025Updated 8 months 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.
- 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
- Automated analysis of LCMS data for high throughput chemistry experiments☆23Dec 15, 2025Updated 3 months ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆19Mar 5, 2026Updated 2 weeks ago
- Python wrapper for the IBM RXN for Chemistry API☆238Dec 10, 2025Updated 3 months ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆362Feb 13, 2026Updated last month
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆90Feb 9, 2026Updated last month
- Software package for computer aided synthesis planning☆255Nov 27, 2023Updated 2 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆204Aug 12, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A tool for retrosynthetic planning☆803Mar 11, 2026Updated 2 weeks ago
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Mar 31, 2021Updated 4 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆167Jul 9, 2022Updated 3 years ago
- Smart Stirrer☆11Aug 17, 2020Updated 5 years ago
- Yet another ML method comparison☆16Nov 20, 2022Updated 3 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆81Jun 1, 2025Updated 9 months ago
- Package for Retrosynthetic Planning☆190Updated this week
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆134Dec 10, 2022Updated 3 years ago
- Synthesis generative model☆48Apr 24, 2025Updated 11 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆31Jan 5, 2023Updated 3 years ago
- Facilitates searching, screening, and organizing large chemical databases☆173Mar 1, 2024Updated 2 years ago
- UQ4DD: Uncertainty Quantification for Drug Discovery☆17Aug 4, 2025Updated 7 months ago
- Descriptor computation(chemistry) and (optional) storage for machine learning☆277Oct 26, 2024Updated last year
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆196Jan 27, 2022Updated 4 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- ☆125Sep 16, 2023Updated 2 years ago
- Platforms to predict reactivity for substitution reactions.☆21May 8, 2021Updated 4 years ago
- Open-source tool for synthons-based library design.☆89Jan 8, 2025Updated last year
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 3 years ago
- Template-free prediction of organic reaction outcomes☆160Oct 10, 2019Updated 6 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Oct 26, 2020Updated 5 years ago
- CReM: chemically reasonable mutations framework☆264Mar 17, 2026Updated last week
- Identifying silly molecules☆17May 12, 2022Updated 3 years ago
- add-on to plotly which show molecule images on mouseover!☆262Mar 17, 2026Updated last week
- SMARTS sanitization☆32Mar 2, 2026Updated 3 weeks ago