Navya Khare is a software engineer with 9 years of experience blending machine learning, computational science, and backend engineering, currently building scalable systems at Gojek. She holds a BTech and an MS by Research from IIIT Hyderabad, and has applied graph-based deep learning to large-scale protein annotation during an Inria internship. Her open-source contributions to the widely used MDAnalysis library improved hydrogen-bond and distance calculations by adding periodic boundary condition support, refactoring for precision, and expanding test coverage—demonstrating care for scientific correctness in production code. Past research roles include computational host–pathogen interaction modeling and high-accuracy ML pipelines, reflecting a strong intersection of biology, chemistry, and statistical optimization. Based in Indore, she combines academic rigor with practical software delivery, often favoring precise numeric improvements and robust testing in scientific codebases.
9 years of coding experience
High School, High School at Scindia Kanya Vidhyalaya, Gwalior
BTech in Computer Science and MS by Research in Computational Natural Science, BTech in Computer Science and MS by Research in Computational Natural Science at International Institute of Information Technology
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Role in this project:
Back-end Developer & QA Engineer
Contributions:17 commits, 8 PRs, 25 comments in 25 days
Contributions summary:Navya primarily contributed to the MDAnalysis library by enhancing the `distances` and `hbonds` modules. Their work included adding periodic boundary condition (PBC) support, refactoring existing code to improve precision, and adding new test cases to ensure the accuracy of calculations. Additionally, the user modified test functions to validate the functionality of implemented features. The contributions focused on improving the library's accuracy, feature set, and test coverage.
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