molmod/md-tracks molmod/md-tracks

  • This repository has been archived on 14/Apr/2023
  • Stars
    star
    6
  • Rank 2,485,621 (Top 50 %)
  • Language
    Python
  • License
    GNU General Publi...
  • Created about 12 years ago
  • Updated about 1 year ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
molmod/md-tracks
github

molmod

Reviews

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

Repository Details

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

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

micmec

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