gitlab.com topics: Graph Neural Networks
iciq-tcc/nlopez-group/gnn_eads
Code repository for GAME-Net (Graph-based Adsorption on Metal Energy-neural Network), a graph neural network for predicting the adsorption energy of closed-shell molecules on metal surfaces.
Last synced at: almost 2 years ago - Stars: 6 - Forks: 2
EuropeanSpaceAgency/pylattice2d
Package for generating and inverse-designing 2D lattice materials. Represents lattices as heterogeneous graphs and utilizes message passing, automatic differentiation and surrogate gradients for the inverse design.
Last synced at: about 2 years ago - Stars: 0 - Forks: 0
