A tool for retrosynthetic planning
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Updated
Dec 5, 2024 - Python
A tool for retrosynthetic planning
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
Tools and routines to calculate distances between synthesis routes and to cluster them.
Contains code for Siamese Recurrent Neural Network with Self-Attention for Bioactivity Prediction
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Analysis of Italy vaccination campaign of covid-19 in 2021, the italian government got four diffenrent types of vaccines to protect the population,
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Research project and literature review focused on integrating SMILES-based retrosynthesis using sequence-to-sequence (Seq2Seq) and transformer models into AstraZeneca’s AiZynthFinder retrosynthetic planning tool.
Studying people perception regarding COVID-19 vaccination in Saudi Arabia during selected events
Winning 1st Place Entry for Great Uni Hack - PlantMedic an app for tracking your own plants and public plants allowing you to plan walks to visit plants aswell as a built in API for Image recognition of plants. Walk outside more! Feel Better :)
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