In this work, we introduce a Transformer-based architecture for molecule property prediction, which is able to capture the geometry of the molecule. We modify the classical positional encoder by an ...

Unlike traditional geometric shapes, fractals can have infinite detail ... However, such regularity has eluded the molecular ...

Harland, B. B. ; Roy, P. - N. . An Initial Value Representation Semiclassical Approach For The Study Of Molecular Systems With Geometric Constraints. The Journal of chemical physics 2003, 118, ...