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gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support
Irrgang, M. Eric, Davis, Caroline, Kasson, Peter M.
Published in PLoS computational biology (01.02.2022)
Published in PLoS computational biology (01.02.2022)
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Journal Article
An In Silico Head-to-Head Comparison of the Do-It-Yourself Artificial Pancreas Loop and Bio-Inspired Artificial Pancreas Control Algorithms
Armiger, Ryan, Reddy, Monika, Oliver, Nick S., Georgiou, Pantelis, Herrero, Pau
Published in Journal of diabetes science and technology (01.01.2022)
Published in Journal of diabetes science and technology (01.01.2022)
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Journal Article
BLESS 2: accurate, memory-efficient and fast error correction method
Heo, Yun, Ramachandran, Anand, Hwu, Wen-Mei, Ma, Jian, Chen, Deming
Published in Bioinformatics (Oxford, England) (01.08.2016)
Published in Bioinformatics (Oxford, England) (01.08.2016)
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Journal Article
SUARA: A scalable universal allreduce communication algorithm for acceleration of parallel deep learning applications
Nuriyev, Emin, Manumachu, Ravi Reddy, Aseeri, Samar, Verma, Mahendra K., Lastovetsky, Alexey L.
Published in Journal of parallel and distributed computing (01.01.2024)
Published in Journal of parallel and distributed computing (01.01.2024)
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Journal Article
A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation
Colmenares, José, Galizia, Antonella, Ortiz, Jesús, Clematis, Andrea, Rocchia, Walter
Published in BioMed research international (01.01.2014)
Published in BioMed research international (01.01.2014)
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Journal Article
Integrating gene annotation with orthology inference at scale
Published in Science (American Association for the Advancement of Science)
(28.04.2023)
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Journal Article
Semisupervised Manifold Regularization via a Subnetwork-Based Representation Learning Model
Zhang, Wandong, Wu, Q. M. Jonathan, Yang, Yimin
Published in IEEE transactions on cybernetics (01.11.2023)
Published in IEEE transactions on cybernetics (01.11.2023)
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Journal Article
Python Red Pitaya Lockbox (PyRPL): An open source software package for digital feedback control in quantum optics experiments
Neuhaus, Leonhard, Croquette, Michaël, Metzdorff, Rémi, Chua, Sheon, Jacquet, Pierre-Edouard, Journeaux, Alexandre, Heidmann, Antoine, Briant, Tristan, Jacqmin, Thibaut, Cohadon, Pierre-François, Deléglise, Samuel
Published in Review of scientific instruments (01.03.2024)
Published in Review of scientific instruments (01.03.2024)
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Journal Article
Accelerating distributed deep neural network training with pipelined MPI allreduce
Castelló, Adrián, Quintana-Ortí, Enrique S., Duato, José
Published in Cluster computing (01.12.2021)
Published in Cluster computing (01.12.2021)
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Journal Article
QuOCS: The quantum optimal control suite
Rossignolo, Marco, Reisser, Thomas, Marshall, Alastair, Rembold, Phila, Pagano, Alice, Vetter, Philipp J., Said, Ressa S., Müller, Matthias M., Motzoi, Felix, Calarco, Tommaso, Jelezko, Fedor, Montangero, Simone
Published in Computer physics communications (01.10.2023)
Published in Computer physics communications (01.10.2023)
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Journal Article
Topoly: Python package to analyze topology of polymers
Dabrowski-Tumanski, Pawel, Rubach, Pawel, Niemyska, Wanda, Gren, Bartosz Ambrozy, Sulkowska, Joanna Ida
Published in Briefings in bioinformatics (20.05.2021)
Published in Briefings in bioinformatics (20.05.2021)
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Journal Article
BubbleDet: a Python package to compute functional determinants for bubble nucleation
Ekstedt, Andreas, Gould, Oliver, Hirvonen, Joonas
Published in The journal of high energy physics (11.12.2023)
Published in The journal of high energy physics (11.12.2023)
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Journal Article