activity
20232025
most citedEvaluating representation learning on the protein structure universe

6 citations · 14 across the 5 of their papers we have counts for

collaborators

5 papers

cs.AI2025★ 1 cited

HalluMat: Detecting Hallucinations in LLM-Generated Materials Science Content Through Multi-Stage Verification

Bhanu Prakash Vangala, Sajid Mahmud, Pawan Neupane +2

Artificial Intelligence (AI), particularly Large Language Models (LLMs), is transforming scientific discovery, enabling rapid knowledge generation and hypothesis formulation. Howev…

q-bio.BM2025

PSBench: a large-scale benchmark for estimating the accuracy of protein complex structural models

Pawan Neupane, Jian Liu, Jianlin Cheng

Predicting protein complex structures is essential for protein function analysis, protein design, and drug discovery. While AI methods like AlphaFold can predict accurate structura…

cs.LG2024★ 3 cited

FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction

Alex Morehead, Jianlin Cheng

Powerful generative AI models of protein-ligand structure have recently been proposed, but few of these methods support both flexible protein-ligand docking and affinity estimation…

cs.LG2024★ 6 cited

Evaluating representation learning on the protein structure universe

Arian R. Jamasb, Alex Morehead, Chaitanya K. Joshi +8

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-tr…

cs.CV2023★ 4 cited

Adapting Segment Anything Model (SAM) through Prompt-based Learning for Enhanced Protein Identification in Cryo-EM Micrographs

Fei He, Zhiyuan Yang, Mingyue Gao +6

Cryo-electron microscopy (cryo-EM) remains pivotal in structural biology, yet the task of protein particle picking, integral for 3D protein structure construction, is laden with ma…