☆86Mar 12, 2018Updated 8 years ago
Alternatives and similar repositories for retrosim
Users that are interested in retrosim are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆139Dec 10, 2022Updated 3 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
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆36Sep 1, 2022Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆169Jul 9, 2022Updated 3 years ago
- ☆67May 25, 2021Updated 4 years ago
- Template-free prediction of organic reaction outcomes☆160Oct 10, 2019Updated 6 years ago
- Implementation of reaction condition prediction with Parrot☆21Nov 16, 2023Updated 2 years ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆61Jun 29, 2023Updated 2 years ago
- ☆67Jan 29, 2020Updated 6 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
- ☆24Aug 24, 2023Updated 2 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆83Apr 5, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆16Jan 1, 2020Updated 6 years ago
- Code for training machine learning model for reaction condition prediction☆47Apr 30, 2020Updated 6 years ago
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Mar 31, 2021Updated 5 years ago
- Energy-based modeling of chemical reactions☆34Dec 15, 2022Updated 3 years ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- Platforms to predict reactivity for substitution reactions.☆22May 8, 2021Updated 4 years ago
- ☆115Jan 20, 2021Updated 5 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- ☆69Nov 7, 2023Updated 2 years ago
- 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.
- ☆115Apr 14, 2018Updated 8 years ago
- ☆13May 21, 2023Updated 2 years ago
- Biosynthesis Navigator for Natural Products☆56Jul 4, 2022Updated 3 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆163Nov 1, 2018Updated 7 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆92Apr 13, 2026Updated 3 weeks ago
- ☆421Apr 18, 2022Updated 4 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 7 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.
- Software package for computer aided synthesis planning☆263Nov 27, 2023Updated 2 years ago
- ☆23Nov 10, 2020Updated 5 years ago
- ☆45May 12, 2020Updated 5 years ago
- Text mining of chemical reactions☆112Nov 10, 2024Updated last year
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆85Mar 26, 2022Updated 4 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆115Jan 27, 2026Updated 3 months ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago