JoaoRodrigues

openmm_scripts

Collection of Python scripts to setup and run simulations with OpenMM

gmx-tools

Assorted Python Scripts to accompany the gmx analysis tools

git-cheat-sheet

A simple Git cheat sheet

sc-teaching

Notes from Software Carpentry Workshops

funding-opportunities

pbc_mindist

Python code to calculate distances between periodic images in molecular dynamics simulations.

2019-07-10-stanford

Stanford University Software Carpentry Workshop, July 2019

mfb_2020

MolSSI Fellows Bootcamp 2020

molecool

A really chilled molecular sciences package written in Python

2019-08-26-genentech

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

COVID-19-data

Unpivoted and cleaned dataset from Johns Hopkins on COVID-19 outbreak

csb-python-course

flask-demo

Silly Flask Demo

git-novice

Software Carpentry introduction to Git for novices.

guacamole

Repository for guacamole recipes

intro-git-github

js_examples

repository to store my first JavaScript project

minnie

A structural ensemble analysis package to deduce the molecular interaction fingerprints

molcom-js

novoCoronavirus-Analysis

Analysis of novo Coronavirus 2019 public data

openmm

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

pdb-tools-web

Dummy Web Interface for pdb-tools. Draggables.

pdbfixer

PDBFixer fixes problems in PDB files

periodic-table

python-package-best-practices

https://molssi-education.github.io/python-package-best-practices/

reveal.js

The HTML Presentation Framework

scworkshop-dummy

styles

Styles for The Carpentries lessons. Documentation at http://carpentries.github.io/lesson-example/.

talks