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Showing 10 of 83 repositories
- Simpatico Public
Simpatico produces high-dimensional embeddings of atoms in proteins and small molecules. Atomic representations produced by Simpatico are co-located in embedding space according to their interaction potential, allowing users to perform rapid virtual screening over extremely large datasets.
- aurora Public
- conferences Public
Upcoming conferences & workshops of interest to the Wheeler Lab (bioinformatics, ML for biology, genomics, protein structure).
- doe_genesis_compute_resources Public
DOE HPC resources (ALCF, OLCF, NERSC) for Genesis Mission MD + ML work, with links to facility docs
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