Wrapper for RDKit's RunReactants to improve stereochemistry handling
☆184Sep 18, 2023Updated 2 years ago
Alternatives and similar repositories for rdchiral
Users that are interested in rdchiral are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆86Mar 12, 2018Updated 8 years ago
- 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
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆370Feb 13, 2026Updated 3 months ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆139Dec 10, 2022Updated 3 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆169Jul 9, 2022Updated 3 years 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.
- ☆23Nov 10, 2020Updated 5 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆208Aug 12, 2021Updated 4 years ago
- Template-free prediction of organic reaction outcomes☆161Oct 10, 2019Updated 6 years ago
- ☆424Apr 18, 2022Updated 4 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 7 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆83Apr 5, 2026Updated last month
- Software package for computer aided synthesis planning☆263Nov 27, 2023Updated 2 years ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆94Apr 13, 2026Updated last month
- 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.
- ☆116Jan 20, 2021Updated 5 years ago
- Retrosynthesis planner☆62Jan 14, 2021Updated 5 years ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Text mining of chemical reactions☆112Nov 10, 2024Updated last year
- ☆70Nov 7, 2023Updated 2 years ago
- ☆67May 25, 2021Updated 5 years ago
- SMARTS sanitization☆33Mar 2, 2026Updated 2 months ago
- A tool for retrosynthetic planning☆836Apr 13, 2026Updated last month
- 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.
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆84Mar 26, 2022Updated 4 years ago
- ☆13May 21, 2023Updated 3 years ago
- ☆68Jan 29, 2020Updated 6 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 7 years ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆87Aug 5, 2024Updated last year
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆164Nov 1, 2018Updated 7 years ago
- ☆115Apr 14, 2018Updated 8 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Official data repository for the Open Reaction Database☆333Updated this week
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆27Feb 9, 2024Updated 2 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆17Sep 17, 2020Updated 5 years ago
- ☆24Aug 24, 2023Updated 2 years ago
- ☆45May 12, 2020Updated 6 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 4 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆115Jan 27, 2026Updated 3 months ago