Clyde-fare/cclib-data
Computational chemistry logfiles used as regression tests by cclib.
Developer Profile
Clyde-fare
Discovered public repositories for Clyde-fare in the GitHub catalog.
Clyde-fare/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.
Clyde-fare/cclib
Parsers and algorithms for computational chemistry logfiles
Clyde-fare/cc_utils
Public repository.
Clyde-fare/conda-recipes
Recipes for the conda Python package manager
Clyde-fare/ase_extensions
Public repository.
Clyde-fare/graph_frags
Public repository.
Clyde-fare/gausspy
My gaussian calculator
Clyde-fare/ipython_graphdash
Alternative graph based dashboard for IPython Notebooks
Clyde-fare/working-open-data
Materials for a course on open data at UC Berkeley I School (2013)
Clyde-fare/ccnotebook_talk
Talk given at Pydata 2014
Clyde-fare/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Clyde-fare/pbs_util
Python module, utilities, and web app for Portable Batch System (PBS)
Clyde-fare/mpl_tutorial
A basic Matplotlib tutorial
Clyde-fare/cclib_bak
Chemical notebook version of cclib
Clyde-fare/Imperial_Chem_Python
Imperial Chemistry department's Introduction To Python course
Clyde-fare/molmod
Chemical Notebook version of molmod