Prediction of compound synthesis accessibility bashed on reaction knowledge graph
☆17May 24, 2022Updated 4 years ago
Alternatives and similar repositories for YaSAScore
Users that are interested in YaSAScore are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆100Aug 25, 2021Updated 5 years ago
- ☆10Jul 30, 2024Updated 2 years ago
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆42Jun 6, 2025Updated last year
- 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.
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- ☆21Aug 18, 2020Updated 6 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 5 years ago
- A CDK-based library for generating Scaffold Trees and Scaffold Networks☆13Oct 26, 2023Updated 3 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Finding organic reaction mechanism with reaction and mechanistic templates☆12Feb 8, 2026Updated 8 months ago
- Applying deep neural networks for retrosynthesis tasks☆38Mar 2, 2020Updated 6 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- 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.
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 years ago
- ☆11Oct 3, 2026Updated last month
- Platforms to predict reactivity for substitution reactions.☆23May 8, 2021Updated 5 years ago
- ☆89Mar 12, 2018Updated 8 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆192Sep 18, 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
- ☆17Mar 11, 2023Updated 3 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- 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.
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated last month
- Using TensorFlow to model chemistry problems☆10Jun 16, 2024Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆18Oct 4, 2021Updated 5 years ago
- Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search☆177Jul 9, 2022Updated 4 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆37Sep 1, 2022Updated 4 years ago
- Atom order in one molecule is made to match that in another☆12Nov 2, 2020Updated 6 years ago
- VenomPred 2.0 API☆11Jul 7, 2026Updated 3 months ago
- ☆24Aug 24, 2023Updated 3 years ago
- A repository for evaluating single-step retrosynthesis algorithms☆21Jul 23, 2024Updated 2 years ago
- 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.
- ☆31Jun 30, 2026Updated 4 months ago
- BigSMILES☆11Jun 16, 2024Updated 2 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Learning retrosynthetic pathway design using simulated experience☆19May 19, 2019Updated 7 years ago
- ☆10Mar 27, 2025Updated last year
- Fork of DiffDock designed for fine tuning.☆13Oct 26, 2025Updated last year
- GraphRXN☆32May 22, 2023Updated 3 years ago