Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance
Diffusion for Virtual Screening

Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual Screening

20 July 2024

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Papers citing "Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual Screening"

17 / 17 papers shown

Title
Structured Denoising Diffusion Models in Discrete State-Spaces Jacob Austin Daniel D. Johnson Jonathan Ho Daniel Tarlow Rianne van den Berg DiffM 194 948 0 07 Jul 2021
LoRA: Low-Rank Adaptation of Large Language Models J. E. Hu Yelong Shen Phillip Wallis Zeyuan Allen-Zhu Yuanzhi Li Shean Wang Lu Wang Weizhu Chen OffRL AI4TS AI4CE ALM AIMat 502 10,526 0 17 Jun 2021
Diffusion Models Beat GANs on Image Synthesis Prafulla Dhariwal Alex Nichol 306 7,958 0 11 May 2021
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 113 1,033 0 19 Feb 2021
A Generalization of Transformer Networks to Graphs Vijay Prakash Dwivedi Xavier Bresson AI4CE 109 761 0 17 Dec 2020
Denoising Diffusion Probabilistic Models Jonathan Ho Ajay Jain Pieter Abbeel DiffM 759 18,408 0 19 Jun 2020
Generative Modeling by Estimating Gradients of the Data Distribution Yang Song Stefano Ermon SyDa DiffM 258 3,961 0 12 Jul 2019
What graph neural networks cannot learn: depth vs width Andreas Loukas GNN 93 301 0 06 Jul 2019
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 294 655 0 29 Nov 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 121 714 0 22 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 359 1,372 0 12 Feb 2018
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 484 20,265 0 30 Oct 2017
FiLM: Visual Reasoning with a General Conditioning Layer Ethan Perez Florian Strub H. D. Vries Vincent Dumoulin Aaron Courville FAtt AIMat OffRL AI4CE 372 2,239 0 22 Sep 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 598 7,500 0 04 Apr 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 343 1,838 0 02 Mar 2017
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 682 29,183 0 09 Sep 2016
Deep Unsupervised Learning using Nonequilibrium Thermodynamics Jascha Narain Sohl-Dickstein Eric A. Weiss Niru Maheswaranathan Surya Ganguli SyDa DiffM 312 7,035 0 12 Mar 2015

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