Types with default field values, keyword constructors and (un-)pack macros

Energetic modelling of Amyloid beta nucleation

A collaborative note taking, wiki and documentation platform that scales. Built with Django and React. Opensource alternative to Notion or Outline.

Compute neighbor lists for atomistic systems

OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

Polynomial manipulations in Julia

Kuhlman Lab Installation of AlphaFold3

Host-guest structures for binding free energy benchmarks

Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning

Genome modeling and design across all domains of life

Basic plotting recipes for trees

Converts an xyz file to an RDKit mol object

A Julia interface to the SQLite library

SIMD instructions for faster distance calculations.

manage different types of processes using declarative syntax

A simple index type that allows for inverted selections

Metal programming in Julia

🔬 Path to a free self-taught education in Bioinformatics!

Constant pH simulation with OpenMM

A Julia package for computational (bio)mechanics and computational design

HPC setup for juliaup, julia and HPC key packages requiring system libraries

Visualising AtomsBase-compatible structures

Sample codes for my book on molecular dynamics simulation

Plugin for OpenMM providing simulation data wrappers as DLPack data structures

Easily and efficiently memoize any function, closure, or callable object in Julia.

Coarse-grain MD not fast enough? Try some Cahill inspired MembraneElectrostatics!