Retired Bioinformatician. Agiani comes from the Italian volleyball ex-"hammer" and now trainer ANDREA GIANI. https://www.youtube.com/watch?v=6Y
CHEMBL2ML. A simple app to generate a predictive ML model from any ChEMBL target via UniprotID
18KNIME_Screen. Collection scripts and workflows for data analysis on screening
3R_shinyapps. Shiny Apps
3PYERG. StrawMan Implementation of ErG fingeprint with flip/flop
2OxMet. Sreamlit app for Oxidative Metabolism prediction
1VITRO_VIVO_Correlation. an attempt to generate examples of invitro vs invivo data correlation for drugs
1DiffusionMol. Example of a diffusion model to rebuild ligand into cavities
1KNIME. A short list of KNIME basic workflows for chemoinformatic tasks (cluster, ML and VS)
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