libmolgrid: GPU Accelerated Molecular Gridding for Deep Learning Applications

10 December 2019

Papers citing "libmolgrid: GPU Accelerated Molecular Gridding for Deep Learning Applications"

3 / 3 papers shown

Title
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information Taojie Kuang Yiming Ren Zhixiang Ren 23 7 0 28 Sep 2023
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded Libraries Kirill Shmilovich Benson Chen Theofanis Karaletos Mohammad M. Sultan 11 12 0 30 Nov 2022
Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models Tomohide Masuda Matthew Ragoza D. Koes DiffM 21 52 0 16 Oct 2020