thepineapplepirate Goto Github PK

amber-membrane_protein_tutorial

Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen

awesome-machine-learning

A curated list of awesome Machine Learning frameworks, libraries and software.

bioblend

A Python library for interacting with Galaxy and CloudMan APIs

bioconda-recipes

Conda recipes for the bioconda channel.

bumpy

casp15_high_accuracy

Code and data for high accuracy assessment in CASP15

cb7

random cb7 files I've been using to created and test tools

chopin2

Domain-Agnostic Supervised Learning with Hyperdimensional Computing

compressed-quadratization

can be used for quadratizing a hamiltonian

force-fields

Force Fields

galaxy

Data intensive science for everyone.

galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry

gmxinsertmolecules

tool files for $gmx insert-molecules

gmxtras

gromacs

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

hem

inflategro2

Automized protein embedding into membranes

membraneprotein

used to insert proteins into lipid bilayer

ml-jupyter-notebook

Jupyterlab notebook in a GPU enabled docker container for machine learning and deep learning

mypmfs

pulchra

pulchra hastily modified for c++/python binding

pythonbootcamp

qiskit-jupyter-galaxy_docker

files for building docker image for qiskit in galaxy via jupyter notebooks

qiskit-jupyter-galaxy_xml

xml file for Galaxy tool

qiskit-nature

Quantum Nature

qiskit-research

Research using Qiskit.

qiskit-xyz2pdb

randomdevfiles_gmxinsertmolecules

bunch of files used while creating gmx insert molecules and testing gmx solvate

reader

Read the latest Real Python tutorials (PyPI Demo Package)

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format