mcocdawc Goto Github PK
Name: Oskar Weser
Type: User
Company: Max Planck Institute for Solid State Research
Bio: Postdoc in ab initio computational chemistry.
Oskar Weser's Projects
apollo-11
Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.
atom-latex
The only LaTeX package you need for typesetting with Atom.
avogenerators
Python input file generators for Avogadro 2
cclib
Parsers and algorithms for computational chemistry logfiles
chemcoord
A python module for manipulating cartesian and internal coordinates.
chemcoord-feedstock
A conda-smithy repository for chemcoord.
chemicaljson
Development of the Chemical JSON data representation
chemopt
Optimise molecules using Zmatrices and symbolic algebra to reduce degrees of freedom.
crucio
An e-learning system for your multiple-choice questions.
ford
Automatically generates FORtran Documentation from comments within the code.
fortran-language-server
Fortran Language Server for the Language Server Protocol
functional-fortran
Functional programming for modern Fortran
gridparser
Parsing molcas grid files
libmsym
molecular point group symmetry lib
lund_computer_clusters
More efficient workflow for MOLCAS
molito
Super simple molecular viewer using PyQt4
molpy
Molcas wavefunction assistent
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
pyblock
python module for performing blocking analysis on data containing serial correlations
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-git-version
Generate pep440 compliant version strings from git for python projects
python-sty
Embed Python in LaTeX
rmsd
Calculate RMSD for two XYZ structures
stdlib
Fortran Standard Library
zmatrix
A class for conversion between zmatrices and cartesian coordinates
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