NeuralPlexer - Pytorch (wip)

Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, in Pytorch

Citations

@article{Qiao2022DynamicBackbonePS,
    title   = {Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models},
    author  = {Zhuoran Qiao and Weili Nie and Arash Vahdat and Thomas F. Miller and Anima Anandkumar},
    journal = {ArXiv},
    year    = {2022},
    volume  = {abs/2209.15171}
}