most citedA fully differentiable ligand pose optimization framework guided by deep learning and traditional scoring functions

58 citations · 79 across the 7 of their papers we have counts for

collaborators

8 papers

cs.CL2023★ 18 cited

MMICL: Empowering Vision-language Model with Multi-Modal In-Context Learning

Haozhe Zhao, Zefan Cai, Shuzheng Si +7

Since the resurgence of deep learning, vision-language models (VLMs) enhanced by large language models (LLMs) have grown exponentially in popularity. However, while LLMs can utiliz…

hep-ex2023★ 1 cited

The Giant Radio Array for Neutrino Detection (GRAND) Collaboration -- Contributions to the 38th International Cosmic Ray Conference (ICRC 2023)

GRAND Collaboration, Rafael Alves Batista, Aurélien Benoit-Lévy +96

The Giant Radio Array for Neutrino Detection (GRAND) is an envisioned observatory of ultra-high-energy particles of cosmic origin, with energies in excess of 100 PeV. GRAND uses la…

q-bio.QM2023

Machine Learning Force Fields with Data Cost Aware Training

Alexander Bukharin, Tianyi Liu, Shengjie Wang +4

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research.…

cs.CL2023

BLIAM: Literature-based Data Synthesis for Synergistic Drug Combination Prediction

Cai Yang, Addie Woicik, Hoifung Poon +1

Language models pre-trained on scientific literature corpora have substantially advanced scientific discovery by offering high-quality feature representations for downstream applic…

cs.NI2022★ 2 cited

Social Welfare Maximization for Collaborative Edge Computing: A Deep Reinforcement Learning-Based Approach

Xingqiu He, Yuhang Shen, Hongxi Zhu +3

Collaborative Edge Computing (CEC) is an effective method that improves the performance of Mobile Edge Computing (MEC) systems by offloading computation tasks from busy edge server…

cs.CV2022

Brain-Aware Replacements for Supervised Contrastive Learning in Detection of Alzheimer's Disease

Mehmet Saygın Seyfioğlu, Zixuan Liu, Pranav Kamath +4

We propose a novel framework for Alzheimer's disease (AD) detection using brain MRIs. The framework starts with a data augmentation method called Brain-Aware Replacements (BAR), wh…

q-bio.QM2022★ 58 cited

A fully differentiable ligand pose optimization framework guided by deep learning and traditional scoring functions

Zechen Wang, Liangzhen Zheng, Sheng Wang +6

The machine learning (ML) and deep learning (DL) techniques are widely recognized to be powerful tools for virtual drug screening. The recently reported ML- or DL-based scoring fun…

q-bio.QM2022

ProTranslator: zero-shot protein function prediction using textual description

Hanwen Xu, Sheng Wang

Accurately finding proteins and genes that have a certain function is the prerequisite for a broad range of biomedical applications. Despite the encouraging progress of existing co…