I'm currently working at NVIDIA, accelerating digital biology workloads on GPUs through the BioNeMo Framework (NVIDIA/bionemo-framework)

At NREL, I worked on graph convolutional neural networks for organic and inorganic material design, as well as reinforcement learning methods for generating new candidates.

• NREL/rlmolecule
• NREL/graph-env
• NREL/alfabet

I also developed interactive ML tools in the computational chemistry space. See them here:

• bde.ml.nrel.gov, source code
• ysi.ml.nrel.gov, source code: frontend, backend