franciscoadasme

chem.cr

Library for dealing with computational chemistry files

vmdtools

A bunch of utility scripts for VMD

a2epg

AutoEPG is an electropenetration graph (EPG) waveform recognition software

autoepg-website

AutoEPG software website

cienciasaplicadas

PhD. program in Applied Sciences webpage

hclust

Fast hierarchical clustering algorithms in pure Crystal

matrix

A Matrix class for the Crystal programming language.

mm

pdb-bench

Benchmark of handling PDB files comparing multiple libraries

psique

PSIQUE is a geometry-based secondary structure assignment method based on DFT calculations

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.

views

Views and wrappers for stdlib collections