Haoran Liu - Data Scientist

Haoran Liu

Data Scientist - IC5

San Francisco Bay Area United States

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Summary

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Haoran Liu is a PhD candidate in computer science at Texas A&M (TAMU CSE) with five years of software engineering and data science experience focused on graph deep learning for molecular applications. He contributes to the divelab/DIG open-source library as a back-end developer and data scientist, building dataset interfaces and preprocessing pipelines for QM9, ZINC, and MOSES using RDKit and PyTorch Geometric. Haoran excels at bridging cheminformatics and ML engineering—handling SMILES parsing, molecular property targets, and graph representations to make graph-based experiments reproducible and scalable. He brings research rigor to production-style data infrastructure, accelerating model development for molecular discovery.

5 years of coding experience

7 years of employment as a software developer

Doctor of Philosophy - PhD, Geophysics and oceanography, Doctor of Philosophy - PhD, Geophysics and oceanography at Louisiana State University

Stackoverflow

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Github Skills (11)

pytorch10

rdkit10

deep-learning10

python10

data-science10

data-processing10

pandas9

3d-graphics8

graph8

graphs8

3d8

Programming languages (2)

C++Python

Github contributions (5)

divelab/DIG

Apr 2021 - Aug 2021

A library for graph deep learning research

Role in this project:

Back-end Developer & Data Scientist

Contributions:27 commits, 24 pushes, 4 branches in 3 months

Contributions summary:Haoran primarily contributed to the development of a dataset interface within the `dig/ggraph` library, focusing on molecular data processing. They added a dataset class (`PygDataset`) and implemented the necessary processing steps for several molecular datasets, including QM9, ZINC, and MOSES. This involved handling SMILES strings, molecular property targets, and graph representations using RDKit and PyTorch Geometric. The commits also indicate modifications to data loading and pre-processing pipelines for machine learning tasks involving graph data.

explainable-mlpytorchdataminingdeep-learninggraph-deep-learning

Gloria-LIU/gloria-liu.github.io

Sep 2022 - Jan 2025

homepage

Contributions:59 pushes, 4 branches in 2 years 4 months

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