GitHub

A federated graph learning method to multi-party collaboration for molecular discovery

We use CUDA Version 11.7. If you have a different version of CUDA, please ensure that you install the appropriate versions of PyTorch and the CUDA toolkit that are ...
GitHub

Matfree: Matrix-free linear algebra in JAX

Randomised and deterministic matrix-free methods for trace estimation, functions of matrices, and matrix factorisations. Matfree builds on JAX. Thank you for using Matfree! A dedicated paper about ...
Frontiers

Pycortex: an interactive surface visualizer for fMRI

Surface visualizations of fMRI provide a comprehensive view of cortical activity. However, surface visualizations are difficult to generate and most common visualization techniques rely on unnecessary ...
PNAS

Efficient denoising algorithms for large experimental datasets and their applications in Fourier transform ion cyclotron resonance mass spectrometry

Every measurement is corrupted due to random fluctuations in the sample and the apparatus. Current efficient denoising algorithms require large matrix analysis, and become untractable even for ...
C&EN

On the Efficiency of Algorithms for Solving Hartree–Fock and Kohn–Sham Response Equations

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...