PhD in theoretical chemistry and nuclear magnetic resonance. Experience in data science with ensemble models, NN, LLMs and QSAR/QSPR
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Fg_Finder
April 8, 2024 – August 29, 2024
A python package to identfy functional groups in molecules.
View Projectmolbokeh
February 6, 2024 – February 15, 2024
A new python package to visualize molecules in dots hover
View ProjectWordFP
October 12, 2021 – September 20, 2022
A new way to encode words and similarity calculate
View ProjectSpectraFP
April 30, 2021 – June 22, 2025
A package to perform fingerprints from spectroscopy datas.
View ProjectpyADA
February 19, 2021 – February 8, 2024
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
View ProjectpySiRC
August 24, 2020 – October 4, 2021
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
View Projectcronotipy
July 23, 2020 – September 8, 2020
A simple customizable notification scheduler created using the python language and the pyqt5 framework for Linux systems.
View ProjectpyCheckmol
June 26, 2020 – July 17, 2023
Application for detecting functional groups of a molecules.
View ProjectpyECLAT
June 2, 2020 – February 8, 2024
A package for association analysis using the ECLAT method.
View Projectspyn
December 4, 2019 – October 28, 2021
A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.
View ProjectCultural Fit Analysis
The candidate's portfolio is heavily focused on personal projects, primarily in cheminformatics and computational chemistry. This demonstrates a strong passion for a specific niche within data science. While this specialization is valuable, the absence of diverse project types or team experiences makes it challenging to assess adaptability to broader data science challenges or collaborative team environments. The alignment with a 'Data Scientist' role is strong within the scientific data domain, but broader applicability to general data science problems is not evident from the provided data.
Soft Skills & Operational Fit
The candidate's project descriptions suggest a strong inclination towards independent research and development, focusing on creating specialized tools. The lack of professional experience or team-based projects makes it difficult to assess collaboration, communication, or stress handling skills. The focus on personal projects indicates self-motivation and initiative.