clyde-fare Goto Github PK

.tmux

Oh My Tmux! My pretty + versatile self-contained tmux configuration (in other words the best tmux configuration)

ase_extensions

cc_notebook

clyde

cc_utils

cclib

Parsers and algorithms for computational chemistry logfiles

cclib-data

Computational chemistry logfiles used as regression tests by cclib.

cclib_bak

Chemical notebook version of cclib

ccnotebook_talk

Talk given at Pydata 2014

conda-recipes

Recipes for the conda Python package manager

gausspy

My gaussian calculator

graph_frags

imperial_chem_python

Imperial Chemistry department's Introduction To Python course

ipython_graphdash

Alternative graph based dashboard for IPython Notebooks

libprotobuf-feedstock

A conda-smithy repository for libprotobuf.

ml_utils

My random machine learning utility functions

molmod

Chemical Notebook version of molmod

mpl_tutorial

A basic Matplotlib tutorial

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

openmm

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

openmm-md

Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations

openmoltools

checkmol

pbs_util

Python module, utilities, and web app for Portable Batch System (PBS)

phd_notebooks

Notebooks used during my PhD

pylda

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

python-sdk

:snake: Client library to use the IBM Watson services in Python and available in pip as watson-developer-cloud

scikit-learn

scikit-learn: machine learning in Python

ultrafast_tb

vimrc

The ultimate Vim configuration: vimrc

working-open-data

Materials for a course on open data at UC Berkeley I School (2013)