Repositories

Selected open-source repositories from my research.

jae-hlee / agapi Usage examples and Python client for the AtomGPT.org agentic materials-design platform (AGAPI). jae-hlee / slakonet_jae Benchmarks of SlakoNet and ALIGNN for band-gap and formation-energy prediction across ten materials datasets. jae-hlee / batterymat_jae Hierarchical machine-learning and DFT pipeline for average-voltage screening of lithium-ion cathode materials. jae-hlee / catalmat_jae Machine-learning and DFT screening pipeline for catalysis and adsorption-energy prediction. jae-hlee / scaling_jae GPU scaling benchmarks for materials machine-learning workloads on HPC systems. jae-hlee / aai4science Materials from the 2025 Agentic AI for Science (AAI4Science) Hackathon at Johns Hopkins.