Zero Shot Molecular Generation via Similarity Kernels

13 February 2024

Papers citing "Zero Shot Molecular Generation via Similarity Kernels"

5 / 5 papers shown

Title
$Diffusion Models in $\textit{De Novo}$ Drug Design$ Diffusion Models in $\textit{De Novo}$ Drug Design Amira Alakhdar Barnabás Póczos Newell Washburn MedIm 29 11 0 07 Jun 2024
Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials Juno Nam Rafael Gómez-Bombarelli AI4CE 27 4 0 16 Apr 2024
MUDiff: Unified Diffusion for Complete Molecule Generation Chenqing Hua Sitao Luan Minkai Xu Rex Ying Jie Fu Stefano Ermon Doina Precup DiffM 36 34 0 28 Apr 2023
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola DiffM 130 399 0 04 Oct 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 196 224 0 12 Oct 2021