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20190502-retreat-talk

Presentation for the 2019 Hekstra Lab Retreat

2022-diffraction-methods-grc-poster

6d-rotation-np

I just wanted to check that I had a correct numpy implementation of Yi Zhou's 6d rotation matrix parameterization

abismal

Scaling and merging for large diffraction datasets

alphafold

Open source code for AlphaFold.

colabfold

Making Protein folding accessible to all via Google Colab!

daft

Render probabilistic graphical models using matplotlib

deltafestimator

Maximum likelihood estimates of Fourier difference map coefficients

dials

Diffraction Integration for Advanced Light Sources

dials-example

Minimal example that trips up dials.refine

diffractionsim

Compute Bragg peak locations from crystal geometries.

diffusion-probabilistic-models

Reference implementation for Deep Unsupervised Learning using Nonequilibrium Thermodynamics

dotsplot

Quick script for generating dot plots from bio sequence data

gemmi

macromolecular crystallography library and utilities

jupyterlab-vim

:neckbeard: Vim notebook cell bindings for JupyterLab

laue-dials

A package for analyzing Laue x-ray crystallography data using the DIALS framework.

lcls-users

Content and Management of the LCLS Users Documentation website

lvim-starter

Starter template for LazyVim

matplotlib

matplotlib: plotting with Python

mcb265

Crystallography xamples for MCB265 using Jupyter / Collab

mesres

ondemand_cryosparc

Batch Connect - Example Jupyter Notebook Server

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

paramazon

pixi

pymol-psico

Pymol ScrIpt COllection (PSICO)

pymolcolorizer

Simple utility for coloring macromolecules in PyMOL

reciprocalspaceship

Tools for exploring reciprocal space

rep-x

scaled

Python Libraries for Performing Statistical Coupling Analyses of Protein Sequence Alignments