molmod/micmec molmod/micmec

  • Stars
    star
    6
  • Rank 2,491,094 (Top 50 %)
  • Language
    Python
  • License
    GNU General Publi...
  • Created over 2 years ago
  • Updated 10 months ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
molmod/micmec
github

molmod

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

MicMec, the first implementation of the micromechanical model, ever.

More Repositories

1

openmm-tutorial-msbs

OpenMM tutorial for the MSBS course
Jupyter Notebook
136
star
2

psiflow

Interatomic potential development library
Python
72
star
3

molmod

MolMod is a collection of molecular modelling tools for python.
Python
55
star
4

QuickFF

A Python code to quickly derive ab initio parameterized force fields.
Python
36
star
5

yaff

Yaff is yet another force-field code
Python
31
star
6

tamkin

TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
Python
22
star
7

zeobuilder

Zeobuilder is an extensible GUI-toolkit for molecular model construction.
Python
12
star
8

md-tracks

MD-Tracks is a statistical analysis toolkit for molecular dynamics and monte carlo simulations.
Python
6
star
9

DeltaCodesDFT

Scripts needed to generate the Delta factor for two solid state DFT codes within the PBE formalism
Python
5
star
10

Tutorial

IPython tutorial notebooks for master students
Jupyter Notebook
3
star
11

hipart

HiPart is a program to analyze the electronic structure of molecules with fuzzy-atom partitioning methods.
Python
2
star
12

QuantumCourses

Quantum mechanics related courses taught by the CMM
Jupyter Notebook
1
star
13

gpxrdpy

Python wrapper for PXRD pattern calculation based on pyobjcryst
Python
1
star