Proteininvbench: Benchmarking protein inverse folding on diverse tasks, models, and metrics

Z Gao, C Tan, Y Zhang, X Chen… - Advances in Neural …, 2024 - proceedings.neurips.cc
Protein inverse folding has attracted increasing attention in recent years. However, we
observe that current methods are usually limited to the CATH dataset and the recovery …

Prollama: A protein large language model for multi-task protein language processing

L Lv, Z Lin, H Li, Y Liu, J Cui, C Yu-Chian Chen… - arXiv e …, 2024 - ui.adsabs.harvard.edu
Abstract Large Language Models (LLMs), including GPT-x and LLaMA2, have achieved
remarkable performance in multiple Natural Language Processing (NLP) tasks. Under the …

KW-Design: Pushing the Limit of Protein Design via Knowledge Refinement

Z Gao, C Tan, X Chen, Y Zhang, J Xia… - The Twelfth …, 2023 - openreview.net
Recent studies have shown competitive performance in protein inverse folding, while most
of them disregard the importance of predictive confidence, fail to cover the vast protein …

RiboDiffusion: tertiary structure-based RNA inverse folding with generative diffusion models

H Huang, Z Lin, D He, L Hong, Y Li - Bioinformatics, 2024 - academic.oup.com
Motivation RNA design shows growing applications in synthetic biology and therapeutics,
driven by the crucial role of RNA in various biological processes. A fundamental challenge is …

[PDF][PDF] PDB-Struct: A Comprehensive Benchmark for Structure-based Protein Design

C Wang, B Zhong, Z Zhang, N Chaudhary… - arXiv preprint arXiv …, 2023 - ai4d3.github.io
Abstract Structure-based protein design has attracted increasing interest, with numerous
methods being introduced in recent years. However, a universally accepted method for …

Uniif: Unified molecule inverse folding

Z Gao, J Wang, C Tan, L Wu, Y Huang, S Li… - arXiv preprint arXiv …, 2024 - arxiv.org
Molecule inverse folding has been a long-standing challenge in chemistry and biology, with
the potential to revolutionize drug discovery and material science. Despite specified models …

AI for Biomedicine in the Era of Large Language Models

Z Bi, SA Dip, D Hajialigol, S Kommu, H Liu… - arXiv preprint arXiv …, 2024 - arxiv.org
The capabilities of AI for biomedicine span a wide spectrum, from the atomic level, where it
solves partial differential equations for quantum systems, to the molecular level, predicting …

Adapting protein language models for structure-conditioned design

JA Ruffolo, A Bhatnagar, J Beazer, S Nayfach, J Russ… - bioRxiv, 2024 - biorxiv.org
Generative models for protein design trained on experimentally determined structures have
proven useful for a variety of design tasks. However, such methods are limited by the …

Multi-Scale Protein Language Model for Unified Molecular Modeling

K Zheng, S Long, T Lu, J Yang, X Dai, M Zhang, Z Nie… - bioRxiv, 2024 - biorxiv.org
Protein language models have demonstrated significant potential in the field of protein
engineering. However, current protein language models primarily operate at the residue …

Anfinsen Goes Neural: a Graphical Model for Conditional Antibody Design

N Kim, M Kim, J Park - arXiv preprint arXiv:2402.05982, 2024 - arxiv.org
Antibody design plays a pivotal role in advancing therapeutics. Although deep learning has
made rapid progress in this field, existing methods make limited use of general protein …