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…☆245Apr 21, 2026Updated 5 months ago
- ☆20Jul 3, 2024Updated 2 years ago
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- ☆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 4 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.
- 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.☆303Jun 3, 2026Updated 4 months ago
- LillyMol Public Code☆142Aug 28, 2025Updated last year
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years 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☆185Jul 16, 2026Updated 3 months ago
- ☆19Jan 26, 2024Updated 2 years ago
- ☆52Oct 8, 2020Updated 6 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.
- Some useful RDKit functions☆241Updated this week
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- 3D pharmacophore signatures and fingerprints☆119May 8, 2025Updated last year
- ☆38Mar 8, 2024Updated 2 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 6 months ago
- Auto3D generates low-energy conformers from SMILES/SDF☆198Updated this week
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 8 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Kinase-focused fragment library☆69Jun 3, 2026Updated 4 months ago
- Thompson Sampling☆82May 7, 2025Updated last year
- ☆17Jun 12, 2026Updated 4 months ago
- Δ-QML for medicinal chemistry☆112May 5, 2025Updated last year
- ☆11Aug 9, 2021Updated 5 years ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆100Aug 25, 2021Updated 5 years ago
- Evolutionary algorithm for the optimization of molecular properties.☆62Feb 24, 2026Updated 7 months ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 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.
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆25Sep 21, 2024Updated 2 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆74Nov 6, 2025Updated 11 months ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated 2 years ago
- Deterministic classification, naming, and analysis of chemical reactions☆57Aug 10, 2026Updated 2 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- An SQLite extension for chemoinformatics applications.☆64Oct 17, 2025Updated last year
- ☆86Dec 4, 2021Updated 4 years ago