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Computational biochemist
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Evaluating your skill match against the job requirements…
Assessing your cultural and operational fit
Schrodinger
Data Scientist
June 16, 2026 – Present
Molecular_Dynamics
August 22, 2021 – January 12, 2022
Molecular_Dynamics — GitHub repository
View ProjectH1N1_host_interaction
March 28, 2021 – October 12, 2021
H1N1_host_interaction — GitHub repository
View ProjectIntelligent_NAMD
January 28, 2020 – March 19, 2020
Developmental scripts for intelligent NAMD
View Projectchitrakgupta.github.io
June 26, 2017 – August 17, 2024
chitrakgupta.github.io — GitHub repository
View ProjectClustering-Parallelized
January 9, 2017 – January 9, 2017
The purpose here is to create a 4-dimensioal vector by merging two data files, and then perform clustering on it. K-medoids clustering is robust to outliers, so this one is being chosen. Since the number of cluster is unknown, silhouette function is being used to estimate to "goodness" of clsutering
View ProjectAggregation-Automation
December 29, 2016 – December 29, 2016
The purpose of these scripts is to automate the generation of files necessary for all-atom molecular dynamics simulation of multiple copies of a mutant of a peptide.
View ProjectData-Science-Course
December 29, 2016 – December 29, 2016
Data-Science-Course — GitHub repository
View ProjectAnalysis-Scripts
December 29, 2016 – December 30, 2016
This is a repository for the analysis scripts I commonly use for my PhD research.
View ProjectCultural Fit Analysis
The candidate's projects are heavily focused on scientific research and molecular dynamics, which aligns with a data scientist role in a scientific or research-heavy organization. The diversity of projects, while technically focused, shows a consistent interest in data manipulation and analysis. However, the lack of team-based projects or broader industry applications makes it difficult to fully assess cultural fit beyond a research-oriented environment.
Soft Skills & Operational Fit
Insufficient data to assess soft skills and operational fit. The candidate's project descriptions suggest an analytical and research-oriented mindset, but no direct assessment of collaboration, communication, or stress handling is available.