title: Software Projects¶
gbigsmiles

A parser for an extension of the BigSMILES notation.
autoregressive-bbh-inference

A Parameter-Free Tour of the Binary Black Hole Population.
ding-dash

Research work: Leveraging Data Mining, Active Learning, and Domain Adaptation in a Multi-Stage, Machine Learning-Driven Approach for the Efficient Discovery of Advanced Acidic Oxygen Evolution Electrocatalysts.
dtor

LangGraph-based research assistant that generates comprehensive reports for research topics.
lu-neural-chaos

Implementation for the NeurIPS 2023 paper “Training neural operators to preserve invariant measures of chaotic attractors”.
diff-inst

Fast, reproducible 1D axisymmetric experiments for the diffusive instability in dusty disks.
cebmf-torch

Empirical Bayes Matrix Factorization in PyTorch.
AugerNet

Machine learning for Auger-electron spectroscopy (AES) and x-ray photoelectron spectroscopy (XPS).
generative_chem_reactive_structures

Hackathon 2026: Predicting the 3D molecular structures of transition states using just reactant and product geometries.
Clinical_KG_OS_LLM

Hackathon 2026: Building a multi-agent Knowledge Graph extraction pipeline that transforms unstructured clinical transcripts into structured patient representations.