Open-source tool for synthons-based library design.
☆91Jan 8, 2025Updated last year
Alternatives and similar repositories for Synt-On
Users that are interested in Synt-On are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 3 months ago
- ☆20Jul 3, 2024Updated 2 years ago
- Scoring of shape and ESP similarity with RDKit☆237Aug 19, 2025Updated 11 months ago
- ☆24Jun 23, 2021Updated 5 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Code to analyze SAR datasets for Nonadditivity☆20Aug 8, 2021Updated 5 years ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆296Jun 3, 2026Updated 2 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- LillyMol Public Code☆140Aug 28, 2025Updated 11 months ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Simple package for fast molecular similarity searches☆177Jul 16, 2026Updated last month
- ☆19Jan 26, 2024Updated 2 years ago
- ☆50Oct 8, 2020Updated 5 years ago
- 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.
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- 3D pharmacophore signatures and fingerprints☆118May 8, 2025Updated last year
- ☆38Mar 8, 2024Updated 2 years ago
- Auto3D generates low-energy conformers from SMILES/SDF☆196Updated this week
- Some useful RDKit functions☆236Jun 1, 2026Updated 2 months ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 4 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆47Jan 27, 2022Updated 4 years ago
- ☆23Nov 10, 2020Updated 5 years ago
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 6 months 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.
- Kinase-focused fragment library☆69Jun 3, 2026Updated 2 months ago
- Thompson Sampling☆81May 7, 2025Updated last year
- Δ-QML for medicinal chemistry☆111May 5, 2025Updated last year
- ☆17Jun 12, 2026Updated 2 months ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆100Aug 25, 2021Updated 4 years ago
- Evolutionary algorithm for the optimization of molecular properties.☆61Feb 24, 2026Updated 5 months ago
- ☆11Aug 9, 2021Updated 5 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- 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.
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Deterministic classification, naming, and analysis of chemical reactions☆56Aug 10, 2026Updated last week
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆72Nov 6, 2025Updated 9 months ago
- Converts clipboard content to smiles and much more☆66Jun 6, 2024Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- ☆26Mar 11, 2022Updated 4 years ago