Computer-aided synthesis planning
☆61Sep 16, 2026Updated last week
Alternatives and similar repositories for SynPlanner
Users that are interested in SynPlanner are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 7 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Library for processing molecules and reactions in python way☆55Updated this week
- Package for Retrosynthetic Planning☆211Updated this week
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆30May 7, 2026Updated 4 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 4 years ago
- ☆14Oct 9, 2024Updated last year
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated last year
- Deterministic classification, naming, and analysis of chemical reactions☆56Aug 10, 2026Updated last month
- The home of the SMARTS-RX project☆40Aug 19, 2026Updated last month
- A fragment-based molecular assembly toolkit☆53Aug 17, 2026Updated last month
- ☆25Aug 18, 2025Updated last year
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- RetroCast: A Unified Format for Multistep Retrosynthesis☆29Sep 13, 2026Updated 2 weeks 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.
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 25, 2024Updated 2 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- ☆40Feb 20, 2026Updated 7 months ago
- A Sequence Generation Model for Reaction Diagram Parsing☆120Sep 18, 2023Updated 3 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- RetroChimera: a frontier retrosynthesis model built on ensembling☆69Updated this week
- ☆24Jul 25, 2024Updated 2 years ago
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆19Mar 14, 2025Updated last year
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 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.
- Synthetic Bayesian Classification☆49Jan 18, 2021Updated 5 years ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Updated this week
- ☆14May 15, 2024Updated 2 years ago
- Chemprop benchmarking scripts and data for v1☆34Jun 4, 2024Updated 2 years ago
- Toolkit for synthesis planning☆40Sep 19, 2026Updated last week
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated 2 months ago
- In process work on active learning tutorials☆10Feb 19, 2024Updated 2 years ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 9 months ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated 2 years ago
- Recursive LLMs for Retrosynthesis☆32Sep 17, 2026Updated last week
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆100Aug 25, 2021Updated 5 years ago
- Text mining of chemical reactions☆113Nov 10, 2024Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- MASSIVEChem is a pip-installable package centred around mass spectrometry☆17Mar 12, 2025Updated last year