Nature computational science

Keyphrases

Publications

volume 4, number 4, 2024

Steve Vincent Maurice Runser, Roman Vetter, Dagmar Iber
SimuCell3D: three-dimensional simulation of tissue mechanics with cell polarization. Nature computational science 4 (4) (2024)
Steve Vincent Maurice Runser, Roman Vetter, Dagmar Iber
SimuCell3D: three-dimensional simulation of tissue mechanics with cell polarization. Nature computational science 4 (4) (2024)
Anzhi Sheng, Qi Su, Long Wang, Joshua B Plotkin
Strategy evolution on higher-order networks. Nature computational science 4 (4) (2024)
Hannes Kneiding, Ainara Nova, David Balcells
Directional multiobjective optimization of metal complexes at the billion-system scale. Nature computational science 4 (4) (2024)
Steve Vincent Maurice Runser, Roman Vetter, Dagmar Iber
SimuCell3D: three-dimensional simulation of tissue mechanics with cell polarization. Nature computational science 4 (4) (2024)
Hannes Kneiding, Ainara Nova, David Balcells
Directional multiobjective optimization of metal complexes at the billion-system scale. Nature computational science 4 (4) (2024)
Yuansong Zeng, Mai Luo, Ningyuan Shangguan, Peiyu Shi, Junxi Feng, Jin Xu, Ken Chen, Yutong Lu, Weijiang Yu, Yuedong Yang
Deciphering cell types by integrating scATAC-seq data with genome sequences. Nature computational science 4 (4) (2024)

volume 4, number 5, 2024

Matthew Holcomb, Stefano Forli
A multidimensional dataset for structure-based machine learning. Nature computational science 4 (5) (2024)
Xuejian Cui, Xiaoyang Chen, Zhen Li, Zijing Gao, Shengquan Chen, Rui Jiang
Discrete latent embedding of single-cell chromatin accessibility sequencing data for uncovering cell heterogeneity. Nature computational science 4 (5) (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science 4 (5) (2024)
Théo Cavinato, Simone Rubinacci, Anna-Sapfo Malaspinas, Olivier Delaneau
A resampling-based approach to share reference panels. Nature computational science 4 (5) (2024)
Matthew Holcomb, Stefano Forli
A multidimensional dataset for structure-based machine learning. Nature computational science 4 (5) (2024)
Théo Cavinato, Simone Rubinacci, Anna-Sapfo Malaspinas, Olivier Delaneau
A resampling-based approach to share reference panels. Nature computational science 4 (5) (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science 4 (5) (2024)
Théo Cavinato, Simone Rubinacci, Anna-Sapfo Malaspinas, Olivier Delaneau
A resampling-based approach to share reference panels. Nature computational science 4 (5) (2024)
Sannyuya Liu, Qing Li, Xiaoxuan Shen, Jianwen Sun, Zongkai Yang
Automated discovery of symbolic laws governing skill acquisition from naturally occurring data. Nature computational science 4 (5) (2024)
Zhi Wei
Discrete latent embeddings illuminate cellular diversity in single-cell epigenomics. Nature computational science 4 (5) (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science 4 (5) (2024)
Jiahao Xie, Yansong Zhou, Muhammad Faizan, Zewei Li, Tianshu Li, Yuhao Fu, Xinjiang Wang, Lijun Zhang
Designing semiconductor materials and devices in the post-Moore era by tackling computational challenges with data-driven strategies. Nature computational science 4 (5) (2024)

volume 4, number 6, 2024

Pei-Lin Kang, Enrico Trizio, Michele Parrinello
Computing the committor with the committor to study the transition state ensemble. Nature computational science 4 (6) (2024)
Francisco Barreras, Duncan J Watts
The exciting potential and daunting challenge of using GPS human-mobility data for epidemic modeling. Nature computational science 4 (6) (2024)
Jenna C Fromer, Connor W Coley
An algorithmic framework for synthetic cost-aware decision making in molecular design. Nature computational science 4 (6) (2024)
Gokul Gowri, Kuanwei Sheng, Peng Yin
Scalable design of orthogonal DNA barcode libraries. Nature computational science 4 (6) (2024)
Gokul Gowri, Kuanwei Sheng, Peng Yin
Scalable design of orthogonal DNA barcode libraries. Nature computational science 4 (6) (2024)
Hao Wang, Jianqi Hu, Andrea Morandi, Alfonso Nardi, Fei Xia, Xuanchen Li, Romolo Savo, Qiang Liu, Rachel Grange, Sylvain Gigan
Large-scale photonic computing with nonlinear disordered media. Nature computational science 4 (6) (2024)
Gokul Gowri, Kuanwei Sheng, Peng Yin
Scalable design of orthogonal DNA barcode libraries. Nature computational science 4 (6) (2024)
Mai Ha Vu, Philippe A Robert, Rahmad Akbar, Bartlomiej Swiatczak, Geir Kjetil F Sandve, Dag Trygve Truslew Haug, Victor Greiff
Linguistics-based formalization of the antibody language as a basis for antibody language models. Nature computational science 4 (6) (2024)

volume 4, number 7, 2024

Takahiro Yabe, Massimiliano Luca, Kota Tsubouchi, Bruno Lepri, Marta C González, Esteban Moro
Enhancing human mobility research with open and standardized datasets. Nature computational science 4 (7) (2024)
Vadim K Karnaukhov, Dmitrii S Shcherbinin, Anton O Chugunov, Dmitriy M Chudakov, Roman G Efremov, Ivan V Zvyagin, Mikhail Shugay
Structure-based prediction of T cell receptor recognition of unseen epitopes using TCRen. Nature computational science 4 (7) (2024)
Liujun Xu, Gaole Dai, Fubao Yang, Jinrong Liu, Yuhong Zhou, Jun Wang, Guoqiang Xu, Jiping Huang, Cheng-Wei Qiu
Free-form and multi-physical metamaterials with forward conformality-assisted tracing. Nature computational science 4 (7) (2024)
Steven L Brunton, J Nathan Kutz
Promising directions of machine learning for partial differential equations. Nature computational science 4 (7) (2024)
Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird, Nina Andrejevic, Xiang Fu, Tommi S Jaakkola, Qichen Song, Thanh Nguyen, Nathan C Drucker, Sai Mu, Yao Wang, Bolin Liao, Yongqiang Cheng, Mingda Li
Virtual node graph neural network for full phonon prediction. Nature computational science 4 (7) (2024)
Miaozhe Huo, Yuepeng Jiang, Shuai Cheng Li
Unlocking T-cell receptor-epitope insights with structural analysis. Nature computational science 4 (7) (2024)
Steven L Brunton, J Nathan Kutz
Promising directions of machine learning for partial differential equations. Nature computational science 4 (7) (2024)
Raphael Schäfer, Till Nicke, Henning Höfener, Annkristin Lange, Dorit Merhof, Friedrich Feuerhake, Volkmar Schulz, Johannes Lotz, Fabian Kießling
Overcoming data scarcity in biomedical imaging with a foundational multi-task model. Nature computational science 4 (7) (2024)
Raphael Schäfer, Till Nicke, Henning Höfener, Annkristin Lange, Dorit Merhof, Friedrich Feuerhake, Volkmar Schulz, Johannes Lotz, Fabian Kießling
Overcoming data scarcity in biomedical imaging with a foundational multi-task model. Nature computational science 4 (7) (2024)
Takahiro Yabe, Massimiliano Luca, Kota Tsubouchi, Bruno Lepri, Marta C González, Esteban Moro
Enhancing human mobility research with open and standardized datasets. Nature computational science 4 (7) (2024)
Liujun Xu, Gaole Dai, Fubao Yang, Jinrong Liu, Yuhong Zhou, Jun Wang, Guoqiang Xu, Jiping Huang, Cheng-Wei Qiu
Free-form and multi-physical metamaterials with forward conformality-assisted tracing. Nature computational science 4 (7) (2024)
Miaozhe Huo, Yuepeng Jiang, Shuai Cheng Li
Unlocking T-cell receptor-epitope insights with structural analysis. Nature computational science 4 (7) (2024)
Jiancheng Yang
Multi-task learning for medical foundation models. Nature computational science 4 (7) (2024)
Vadim K Karnaukhov, Dmitrii S Shcherbinin, Anton O Chugunov, Dmitriy M Chudakov, Roman G Efremov, Ivan V Zvyagin, Mikhail Shugay
Structure-based prediction of T cell receptor recognition of unseen epitopes using TCRen. Nature computational science 4 (7) (2024)
Jiancheng Yang
Multi-task learning for medical foundation models. Nature computational science 4 (7) (2024)
Raphael Schäfer, Till Nicke, Henning Höfener, Annkristin Lange, Dorit Merhof, Friedrich Feuerhake, Volkmar Schulz, Johannes Lotz, Fabian Kießling
Overcoming data scarcity in biomedical imaging with a foundational multi-task model. Nature computational science 4 (7) (2024)
Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird, Nina Andrejevic, Xiang Fu, Tommi S Jaakkola, Qichen Song, Thanh Nguyen, Nathan C Drucker, Sai Mu, Yao Wang, Bolin Liao, Yongqiang Cheng, Mingda Li
Virtual node graph neural network for full phonon prediction. Nature computational science 4 (7) (2024)

volume 4, number 8, 2024

Silvia Bonfanti, Stefan Hiemer, Raja Zulkarnain, Roberto Guerra, Michael Zaiser, Stefano Zapperi
Computational design of mechanical metamaterials. Nature computational science 4 (8) (2024)
Linxuan He, Yunhui Xu, Weihua He, Yihan Lin, Yang Tian, Yujie Wu, Wenhui Wang, Ziyang Zhang, Junwei Han, Yonghong Tian, Bo Xu, Guoqi Li
Network model with internal complexity bridges artificial intelligence and neuroscience. Nature computational science 4 (8) (2024)
Min Yu, Weiming Li, Yunru Yu, Yu Zhao, Lizhi Xiao, Volker Martin Lauschke, Yiyu Cheng, Xingcai Zhang, Yi Wang
Deep learning large-scale drug discovery and repurposing. Nature computational science 4 (8) (2024)
Yang Zhong, Shixu Liu, Binhua Zhang, Zhiguo Tao, Yuting Sun, Weibin Chu, Xin-Gao Gong, Ji-Hui Yang, Hongjun Xiang
Accelerating the calculation of electron-phonon coupling strength with machine learning. Nature computational science 4 (8) (2024)
Min Yu, Weiming Li, Yunru Yu, Yu Zhao, Lizhi Xiao, Volker Martin Lauschke, Yiyu Cheng, Xingcai Zhang, Yi Wang
Deep learning large-scale drug discovery and repurposing. Nature computational science 4 (8) (2024)
Qiguang He, Samuele Ferracin, Jordan R Raney
Programmable responsive metamaterials for mechanical computing and robotics. Nature computational science 4 (8) (2024)