Contains results and data from Augmented Transformer article
☆39Jul 31, 2020Updated 5 years ago
Alternatives and similar repositories for synthesis
Users that are interested in synthesis are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Dec 17, 2020Updated 5 years ago
- ☆51Aug 8, 2022Updated 3 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- ☆24Aug 24, 2023Updated 2 years ago
- Platforms to predict reactivity for substitution reactions.☆23May 8, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆71Nov 7, 2023Updated 2 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 7 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆142Dec 10, 2022Updated 3 years ago
- Predicting Organic Reactivity with LocalTransform☆53Mar 28, 2025Updated last year
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆189Sep 18, 2023Updated 2 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆170Jul 9, 2022Updated 4 years ago
- ☆45May 12, 2020Updated 6 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 7 years ago
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆67May 25, 2021Updated 5 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago
- ☆89Mar 12, 2018Updated 8 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆17Sep 17, 2020Updated 5 years ago
- ☆428Apr 18, 2022Updated 4 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆84Nov 22, 2023Updated 2 years ago
- ☆17May 25, 2025Updated last year
- Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"☆65Mar 7, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆29Dec 13, 2023Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆48Apr 30, 2020Updated 6 years ago
- Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)☆21Jun 7, 2021Updated 5 years ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆62Jun 29, 2023Updated 3 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆41Jan 14, 2023Updated 3 years ago
- [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning☆22Oct 18, 2024Updated last year
- Code for Single-step Retrosynthesis model Retroprime☆41Apr 27, 2021Updated 5 years ago
- ☆293Feb 11, 2026Updated 5 months ago
- ☆68Jan 29, 2020Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆37Sep 1, 2022Updated 3 years ago
- Template-free prediction of organic reaction outcomes☆161Oct 10, 2019Updated 6 years ago
- ☆23Jan 25, 2023Updated 3 years ago
- 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 WWW'26 paper: Hi-GMAE: Hierarchical Graph Masked Autoencoders☆12Feb 8, 2025Updated last year
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 4 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆86Mar 26, 2022Updated 4 years ago