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grid

Volumetric data manipulator

griddataformats

GridDataFormats provides the Python package 'gridData'. It contains a class ('Grid') to handle data on a regular grid --- basically NumPy n-dimensional arrays. It supports reading from and writing to some common formats (such as OpenDX).

gromacs_utility_scripts

Utility scripts for Gromacs MD simulations tool

hands-on-gpu-programming-with-python-and-cuda

Hands-On GPU Programming with Python and CUDA, published by Packt

lbfgspp

A header-only C++ library for L-BFGS algorithm

lennard-jones

Demonstration of HPC tools in Python

libnvpair

portable, userland-only subset of nvpair from illumos

libnvstusb

Github repo fork from the sf

libnvstusb_real

linux-sunxi

Linux kernel for gpd-pocket (from Hans de Goede + my fixes)

lio

Linear implementation of DFT calculations (CPU and GPU)

litemol

A library/plugin for handling 3D structural molecular data (not only) in the browser.

lj

lennard-jones in Fortran

lj-cxx

Lennard-Jones in C++

machine-learning-algorithms

Code repository for Machine Learning Algorithms, published by Packt

macosx-pymol-app

PyMOL.app for finding PyMOL in Finder of Mac OS X

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

mmtf-workshop-2018

Structural Bioinformatics Training Workshop & Hackathon 2018

models

Trained caffe models

mymmaya

nearestneighbor

Codebase for nearest neighbor entropy calculations of solvent from explicit water molecular dynamics simulations

noise2noise-cryo-em-image-denoising

pytorch implementation of noise2noise for Cryo-EM image denoising

numba_tutorial_scipy2016

Numba tutorial materials for Scipy 2016

numerical-recipes

All header files from numerical recipes. 3rd Edition.

numerical-recipies-in-c

Native implementation of 'Numerical Recipes in C'

old-school-processing

Pre-revolution cryo-EM scripts

openmm_orion

Cubes and Floes for using OpenMM in Orion

openncem

A collection of packages and tools for electron microscopy data analysis supported by the National Center for Electron Microscopy facility of the Molecular Foundry

packmol

Packmol