Search Results for author: Mohammed AlQuraishi

Found 6 papers, 4 papers with code

Growing ecosystem of deep learning methods for modeling protein$\unicode{x2013}$protein interactions

no code implementations10 Oct 2023 Julia R. Rogers, Gergő Nikolényi, Mohammed AlQuraishi

Opportunities abound to discover novel interactions, elucidate their physical mechanisms, and engineer binders to modulate their functions using deep learning and, ultimately, unravel how protein interactions orchestrate complex cellular behaviors.

Representation Learning

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

no code implementations6 Oct 2023 Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Jeff Rasley, Ammar Ahmad Awan, Connor Holmes, Martin Cai, Adam Ghanem, Zhongzhu Zhou, Yuxiong He, Pete Luferenko, Divya Kumar, Jonathan Weyn, Ruixiong Zhang, Sylwester Klocek, Volodymyr Vragov, Mohammed AlQuraishi, Gustaf Ahdritz, Christina Floristean, Cristina Negri, Rao Kotamarthi, Venkatram Vishwanath, Arvind Ramanathan, Sam Foreman, Kyle Hippe, Troy Arcomano, Romit Maulik, Maxim Zvyagin, Alexander Brace, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael Irvin, J. Gregory Pauloski, Logan Ward, Valerie Hayot, Murali Emani, Zhen Xie, Diangen Lin, Maulik Shukla, Ian Foster, James J. Davis, Michael E. Papka, Thomas Brettin, Prasanna Balaprakash, Gina Tourassi, John Gounley, Heidi Hanson, Thomas E Potok, Massimiliano Lupo Pasini, Kate Evans, Dan Lu, Dalton Lunga, Junqi Yin, Sajal Dash, Feiyi Wang, Mallikarjun Shankar, Isaac Lyngaas, Xiao Wang, Guojing Cong, Pei Zhang, Ming Fan, Siyan Liu, Adolfy Hoisie, Shinjae Yoo, Yihui Ren, William Tang, Kyle Felker, Alexey Svyatkovskiy, Hang Liu, Ashwin Aji, Angela Dalton, Michael Schulte, Karl Schulz, Yuntian Deng, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Anima Anandkumar, Rick Stevens

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences.

OpenProteinSet: Training data for structural biology at scale

1 code implementation NeurIPS 2023 Gustaf Ahdritz, Nazim Bouatta, Sachin Kadyan, Lukas Jarosch, Daniel Berenberg, Ian Fisk, Andrew M. Watkins, Stephen Ra, Richard Bonneau, Mohammed AlQuraishi

Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades.

Protein Design Protein Structure Prediction

Accurate Protein Structure Prediction by Embeddings and Deep Learning Representations

3 code implementations9 Nov 2019 Iddo Drori, Darshan Thaker, Arjun Srivatsa, Daniel Jeong, Yueqi Wang, Linyong Nan, Fan Wu, Dimitri Leggas, Jinhao Lei, Weiyi Lu, Weilong Fu, Yuan Gao, Sashank Karri, Anand Kannan, Antonio Moretti, Mohammed AlQuraishi, Chen Keasar, Itsik Pe'er

Our dataset consists of amino acid sequences, Q8 secondary structures, position specific scoring matrices, multiple sequence alignment co-evolutionary features, backbone atom distance matrices, torsion angles, and 3D coordinates.

Multiple Sequence Alignment Protein Structure Prediction

ProteinNet: a standardized data set for machine learning of protein structure

2 code implementations1 Feb 2019 Mohammed AlQuraishi

We have created the ProteinNet series of data sets to provide a standardized mechanism for training and assessing data-driven models of protein sequence-structure relationships.

BIG-bench Machine Learning Protein Secondary Structure Prediction +1

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