2021
ATOM3D: Tasks on Molecules in Three Dimensions
Raphael John Lamarre Townshend, Martin Vögele, Patricia Adriana Suriana, Alexander Derry, Alexander Powers, Yianni Laloudakis +7
NeurIPS 2021poster
Computational methods that operate on three-dimensional (3D) molecular structure have the potential to solve important problems in biology and chemistry. Deep neural networks have gained significant attention, but their widespread adoption in the biomolecular domain has been limited by a lack of eit…