MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
Clément Vignac, Nagham Osman, Laura Toni, Pascal Frossard
Topics & Concepts
MIDIComputer scienceDifferentiable functionStreamlines, streaklines, and pathlinesAlgorithmGraphComputational scienceTheoretical computer scienceMathematicsPhysicsThermodynamicsMathematical analysisOperating systemMachine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics