Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space.
Mohamed Amine KetataNicholas GaoJohanna SommerTom WollschlägerStephan GünnemannPublished in: CoRR (2024)
Keyphrases
- euclidean space
- graph laplacian
- data points
- shape analysis
- riemannian manifolds
- metric space
- euclidean distance
- molecular interactions
- vector space
- low dimensional
- quadratic form
- molecular structures
- discrete space
- virtual screening
- dimensional euclidean space
- pairwise distances
- multi dimensional scaling
- geodesic distance
- three dimensional
- lie group
- multi dimensional
- fisher information
- geometrical structure
- data sets
- weighted graph
- random walk
- nearest neighbor
- constant curvature
- training set