An extensible path integral quantum Monte Carlo code that operates at T ≥ 0

Statically sized tensors and related operations for Julia

Simple multithreading in julia

A comprehensive library for computational molecular biology

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

A Julia wrapper for the spglib C-API

GPU Programming with Julia 2023 - course at the Swiss National Supercomputing Centre (CSCS), ETH Zurich

Python Dynamic Mode Decomposition

Benchmarks with back support

Julia for HPC Course @ UCL ARC

Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properties based on BTE (THERMACOND), and the thermal equilibrium st…

Julia library to visualize molecules and other chemical structures

Statistical bootstrapping library for Julia

Julia package for tensor contractions and related operations

Multiple Hilbert curve algorithms in two dimensions, N-dimensions, and with unequal side lengths, in native Julia.

Fast derivative evaluation

SC23 Deep Learning at Scale Tutorial Material

Efficient Distributed GPU Programming for Exascale, an SC/ISC Tutorial

An Aspiring Drop-In Replacement for NumPy at Scale

Public static website for the D3FEND project. For the D3FEND ontology repo see: https://github.com/d3fend/d3fend-ontology

Taylor-mode automatic differentiation for higher-order derivatives

CUDA programming in Julia.

Kernel-Averaging Method to Eliminate Length-of-Bin Effects (KAMEL-LOBE)

Fast jacobian computation through sparsity exploitation and matrix coloring

Brillouin zones and paths for dispersion calculations in Julia.

Sparse multidimensional arrays using a DOK format, with support for TensorOperations.jl

Contains methods and types for a variety interatomic potentials.

Massively parallel vibrational mode calculator.