In new paper, grad student Rob Raddi uses Deep Gaussian Processes to improve pKa predictions in the SAMPL7 challenge: https://rdcu.be/ctjkk https://doi.org/10.1007/s10822-021-00411-8… Nice work Rob!
In new paper, grad student Rob Raddi uses Deep Gaussian Processes to improve pKa predictions in the SAMPL7 challenge: https://rdcu.be/ctjkk https://doi.org/10.1007/s10822-021-00411-8… Nice work Rob!