☆51Aug 8, 2022Updated 3 years ago
Alternatives and similar repositories for Retroformer
Users that are interested in Retroformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- ☆10Dec 17, 2020Updated 5 years ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆59Jun 29, 2023Updated 2 years ago
- ☆66May 25, 2021Updated 4 years ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆69Nov 7, 2023Updated 2 years ago
- ☆16May 25, 2025Updated 10 months ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- ☆28Dec 13, 2023Updated 2 years ago
- Code for Single-step Retrosynthesis model Retroprime☆40Apr 27, 2021Updated 4 years ago
- ☆80May 21, 2024Updated last year
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 4 years ago
- Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"☆61Mar 7, 2023Updated 3 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 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.
- ☆24Aug 24, 2023Updated 2 years ago
- ☆286Feb 11, 2026Updated 2 months ago
- Biosynthesis Navigator for Natural Products☆55Jul 4, 2022Updated 3 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆36Sep 1, 2022Updated 3 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆113Jan 27, 2026Updated 2 months ago
- [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning☆21Oct 18, 2024Updated last year
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆365Feb 13, 2026Updated last month
- ☆19Jul 18, 2024Updated last year
- Reinforcement Learning based bioretrosynthesis tool☆57Apr 2, 2025Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- Code for WWW'26 paper: Hi-GMAE: Hierarchical Graph Masked Autoencoders☆11Feb 8, 2025Updated last year
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆136Dec 10, 2022Updated 3 years ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- ☆12Jun 11, 2025Updated 10 months ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆166Jul 9, 2022Updated 3 years ago
- ☆23Sep 27, 2024Updated last year
- Official code repository for the paper READRetro: Natural Product Biosynthesis Planning with Retrieval-Augmented Dual-View Retrosynthesis☆23Jun 8, 2024Updated last year
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Retrosynthesis Prediction with an Iterative String Editing Model☆30Dec 27, 2024Updated last year
- ☆86Mar 12, 2018Updated 8 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆82Jun 21, 2022Updated 3 years ago
- Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"☆13Aug 7, 2023Updated 2 years ago
- Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”☆20Mar 25, 2023Updated 3 years ago
- ☆17Jun 16, 2022Updated 3 years ago
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago