5 projects
hrcl-jobs
Runs python functions on worker threads with main thread communicating with sql/postgresql db
qcmlforge
Package for creating QC ML models on QCArchive datasets. The AP-Net2 has been re-implemnented in PyTorch with newer versions to come.
qm-tools-aw
Provides some functions that I have found value in reusing for quantum chemistry related tasks.
cdsg-tools
A collection of tools for writing papers and creating publication-quality figures.
docking-tools-amw
Provides some functions that I have found value in reusing for molecular docking.
