Open-source tool for synthons-based library design.
☆89Jan 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:
- ☆20Jul 3, 2024Updated last year
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 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
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 10 months ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆241Apr 21, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 2 months ago
- ☆23Nov 10, 2020Updated 5 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆290Jun 3, 2026Updated 2 weeks ago
- Tools to train synthesis prediction models☆30Feb 11, 2026Updated 4 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- LillyMol Public Code☆135Aug 28, 2025Updated 9 months ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆17Sep 17, 2020Updated 5 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.
- ☆50Oct 8, 2020Updated 5 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- ☆18Jan 26, 2024Updated 2 years ago
- Thompson Sampling☆81May 7, 2025Updated last year
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆51Sep 3, 2020Updated 5 years ago
- ☆24Jun 23, 2021Updated 4 years ago
- 3D pharmacophore signatures and fingerprints☆114May 8, 2025Updated last year
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- A collection of small scripts and utilities that would otherwise float around in other repositories☆15Apr 4, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- CGRs, molecules and reactions manipulation☆51Oct 31, 2022Updated 3 years ago
- GNN enabled surrogate modeling for chemical docking☆16Nov 3, 2022Updated 3 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- Auto3D generates low-energy conformers from SMILES/SDF☆193Updated this week
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆46Jul 23, 2023Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 years ago
- Computer-aided synthesis planning☆54Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- ☆16Oct 28, 2019Updated 6 years ago
- Evolutionary algorithm for the optimization of molecular properties.☆60Feb 24, 2026Updated 3 months ago
- ☆84Dec 4, 2021Updated 4 years ago
- Generative AI for designing easily synthesizable small molecule drugs☆221Apr 27, 2026Updated last month
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆97Aug 25, 2021Updated 4 years ago