Our group was awarded compute time at the NASA Advanced Supercomputing facility, and NASA subsequently featured Simon’s work on creating the GEOM dataset for studying drug repurposing for COVID-19 with conformer ensembles!
Our group was awarded compute time at the NASA Advanced Supercomputing facility, and NASA subsequently featured Simon’s work on creating the GEOM dataset for studying drug repurposing for COVID-19 with conformer ensembles!