GitHub / LopezGroup-ICIQ / gamenet_uq
Repo of GAME-Net-UQ, a graph neural network with uncertainty quantification for predicting the DFT energy of adsorbed intermediates and transition states on monometallic surfaces.
JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/LopezGroup-ICIQ%2Fgamenet_uq
PURL: pkg:github/LopezGroup-ICIQ/gamenet_uq
Stars: 8
Forks: 0
Open issues: 0
License: mit
Language: Python
Size: 8.68 MB
Dependencies parsed at: Pending
Created at: over 1 year ago
Updated at: 5 months ago
Pushed at: 5 months ago
Last synced at: 5 months ago
Topics: catalysis, density-functional-theory, graph-neural-networks