Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design

Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design

11 October 2022

Clément Vignac

Victor Garcia Satorras

Michael M. Bronstein

Papers citing "Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design"

12 / 12 papers shown

Title
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models Kiwoong Yoo Owen Oertell Junhyun Lee Sanghoon Lee Jaewoo Kang 31 0 0 28 Oct 2024
A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications Jiaqi Han Jiacheng Cen Liming Wu Zongzhao Li Xiangzhe Kong ... Zhewei Wei Deli Zhao Yu Rong Wenbing Huang Wenbing Huang AI4CE 32 20 0 01 Mar 2024
Iterated Denoising Energy Matching for Sampling from Boltzmann Densities Tara Akhound-Sadegh Jarrid Rector-Brooks A. Bose Sarthak Mittal Pablo Lemos ... Siamak Ravanbakhsh Gauthier Gidel Yoshua Bengio Nikolay Malkin Alexander Tong DiffM 32 41 0 09 Feb 2024
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure Ian Dunn D. Koes DiffM GNN 19 3 0 22 Nov 2023
Interpretable Diffusion via Information Decomposition Xianghao Kong Ollie Liu Han Li Dani Yogatama Greg Ver Steeg 16 19 0 12 Oct 2023
DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces Michael S. Jones Kirill Shmilovich Andrew L. Ferguson DiffM 27 12 0 23 Jul 2023
SILVR: Guided Diffusion for Molecule Generation Nicholas T. Runcie A. Mey 13 16 0 21 Apr 2023
Conditional Generative Models are Provably Robust: Pointwise Guarantees for Bayesian Inverse Problems Fabian Altekrüger Paul Hagemann Gabriele Steidl TPM 21 9 0 28 Mar 2023
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation Clément Vignac Nagham Osman Laura Toni P. Frossard DiffM 35 50 0 17 Feb 2023
Structure-based Drug Design with Equivariant Diffusion Models Arne Schneuing Yuanqi Du Charles Harris Arian R. Jamasb Ilia Igashov ... Pietro Lió Carla P. Gomes Max Welling Michael M. Bronstein B. Correia DiffM 29 193 0 24 Oct 2022
Structure-based drug design with geometric deep learning Clemens Isert Kenneth Atz G. Schneider 27 104 0 19 Oct 2022
Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions Emiel Hoogeboom Didrik Nielsen P. Jaini Patrick Forré Max Welling DiffM 202 394 0 10 Feb 2021