Schmidt AI+Science Fellow at UChicago (2023) and Assistant Professor at UCLA (2025)
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cheminformatics
cheminformatics PublicForked from NVIDIA/cheminformatics
Facilitates searching, screening, and organizing large chemical databases
Jupyter Notebook 2
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Crystal_structures
Crystal_structures PublicForked from WMD-group/Crystal_structures
A collection of crystal structures from first-principles simulations
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RASPA2
RASPA2 PublicForked from numat/RASPA2
A mirror of David Dubbeldam's general purpose classical simulation package.
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