OxTalks will soon move to the new Halo platform and will become 'Oxford Events.' There will be a need for an OxTalks freeze. This was previously planned for Friday 14th November – a new date will be shared as soon as it is available (full details will be available on the Staff Gateway).
In the meantime, the OxTalks site will remain active and events will continue to be published.
If staff have any questions about the Oxford Events launch, please contact halo@digital.ox.ac.uk
We will describe the training and development of convolutional neural networks for protein-ligand scoring and how these deep learning models are integrated into the GNINA molecular docking open source software. Successful prospective evaluations of GNINA will be discussed, including recent top performance in the Critical Assessment of Computational Hit-Finding Experiments (CACHE). Additionally, we will describe our open source pharmacophore screening resource, Pharmit, which enables the screening of millions of compounds in seconds and discuss several generative approaches for hit discovery using deep generative models.