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Hi there 👋

I'm (trying to be) a cheminformatics data scientist working at @Chemify. I have been doing cheminformatic development since 2008, crafting C, C++, Python, and PHP (recently Go and Rust) spells to analyze, visualize, and predict molecular properties/activities, turning data into discoveries.

I'm a Linux/Unix enthusiast and an open-source supporter. My favorite Linux distributions are Gentoo, Debian, Fedora, and my preferred desktop environment is KDE plasma.

To name a few of my open-source contributions:

  • CatBoost enabled CatBoost to run multi-task regression with missing values on targets
  • DeepMolecularNetwork some command line software to build deep learning models and make predictions using tabular values, images, smiles string and voxel molecular representations
  • QStudioMetrics software for doing multivariate statistical analysis (PCA/PLS)
  • PyLSS software that implements the LSS theory developed by Dolan and Snyder to run liquid chromatography modeling
  • MolecularFramework a C/C++ library/tool to run molecular modeling and cheminformatic QSAR/QSPR modeling
  • libscientific a C library that implements the multivariate analysis algorithms and also other numerical algorithms (Python bindings available).
  • ChemSpaceTracker a tool to build and visualize chemical spaces using principal component analysis and molecular descriptors
  • MsMsSpectralAnalysis a tool to analyze and compare MS/MS fragmentation spectra with databases
  • DynMetId a metabolite tool identification that power the web engine Dynasti
  • and so on...
Things I'm cooking... live
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During my free time, I enjoy staying with my family, playing french horn, rolling with my inline skates, hacking my old computers, and actively supporting the open-source community as I can: Linux, Mindguard, ...

Here you can find my scientific papers.

Contacts

📫 e-mail: gmrandazzo AT gmail DOT com

LinkedIn

visitors

Giuseppe Marco Randazzo's Projects

alpaca.cpp icon alpaca.cpp

Locally run an Instruction-Tuned Chat-Style LLM

avogadro icon avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

b3db icon b3db

A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.

catboost icon catboost

A fast, scalable, high performance Gradient Boosting on Decision Trees library, used for ranking, classification, regression and other machine learning tasks for Python, R, Java, C++. Supports computation on CPU and GPU.

cxxplot icon cxxplot

A simple to use C++ 2D plotting library.

deepdioeq icon deepdioeq

Solve the sum of three cubes using a neural network.

freakble icon freakble

A simple tool to send messages into FreakWAN over Bluetooth low energy.

freakwan icon freakwan

A MicroPython driver for the SX1276 LoRa chip

github-pages-deploy-action icon github-pages-deploy-action

🚀 Automatically deploy your project to GitHub Pages using GitHub Actions. This action can be configured to push your production-ready code into any branch you'd like.

lehakshiv icon lehakshiv

lehakshiv: listen to any text and learn from it

libscientific icon libscientific

Libscientific is a C framework for multivariate and other statistical analysis

missing-data-multitask-methods icon missing-data-multitask-methods

This repository contains the data sets, the code and the results that were reported on the article "Effect of missing data on multitask prediction methods", found at

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