Stars
Accelerated molecular crystal structure determination from powder diffraction data
alphafold3 architecture step by step walkthrough.
A collection of TTFX workloads for Julia packages, for longitudinal performance testing.
👻 Ghostty is a fast, feature-rich, and cross-platform terminal emulator that uses platform-native UI and GPU acceleration.
Trivial functions for working with coverage for packages locally.
Efficient implementation of the IPA module.
Interactive visualizations of the geometric intuition behind diffusion models.
A Julia package for producing publication quality figures based on Makie.jl.
cole-group / nagl-mbis
Forked from bismuthadams1/nagl-mbisTesting out GCNN for charge prediction
Benchmarks for OpenFF protein force fields
An interoperable Python framework for biomolecular simulation.
Firefox/Chrome extension that gives you a link to a free PDF when you view scholarly articles
FINCHES (First-principle Interactions via CHEmical Specificity) - Python package for predicting chemically-specific molecular interactions for IDRs
Torch-native, batchable, atomistic simulation.
Gromacs-based protocols for Open Free Energy
Template to build a course webpage like the *Introduction to computational thinking with Julia* course tought at MIT
Julia binding to the TMscore binary for calculating TM-score between proteins
numfocus / MOSS
Forked from eyermt/mossMap of Open Source Science
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
Repository for the 2024 OpenFE industry benchmark efforts
Multi-platform high-performance compute language extension for Rust.