Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
☆95Aug 25, 2021Updated 4 years ago
Alternatives and similar repositories for RAscore
Users that are interested in RAscore 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 and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 2 months ago
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆131Mar 16, 2023Updated 3 years ago
- A script to run structural alerts using the RDKit and ChEMBL☆163Feb 17, 2026Updated last month
- A tool for retrosynthetic planning☆817Updated this week
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Jan 22, 2023Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- ☆115Jan 20, 2021Updated 5 years ago
- ☆28Mar 16, 2023Updated 3 years ago
- Software package for computer aided synthesis planning☆258Nov 27, 2023Updated 2 years ago
- ☆176Apr 22, 2022Updated 3 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 3 years ago
- ☆372May 24, 2025Updated 10 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆87Aug 5, 2024Updated last year
- 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.
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆231Apr 8, 2026Updated last week
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆12May 25, 2020Updated 5 years ago
- ☆24Jun 23, 2021Updated 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
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆152Mar 16, 2023Updated 3 years ago
- ☆20Nov 12, 2024Updated last year
- A Molecular Benchmark for Disease and Target Based Machine Learning☆25Feb 9, 2022Updated 4 years ago
- ☆48Oct 8, 2020Updated 5 years ago
- cime public repository