Center for Molecular Modeling (CMM), Ghent University (@molmod)
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molmod

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Top repositories

1

openmm-tutorial-msbs

OpenMM tutorial for the MSBS course
Jupyter Notebook
138
star
2

psiflow

scalable molecular simulation
Python
110
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
37
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

micmec

MicMec, the first implementation of the micromechanical model, ever.
Python
6
star
10

DeltaCodesDFT

Scripts needed to generate the Delta factor for two solid state DFT codes within the PBE formalism
Python
5
star
11

Tutorial

IPython tutorial notebooks for master students
Jupyter Notebook
3
star
12

hipart

HiPart is a program to analyze the electronic structure of molecules with fuzzy-atom partitioning methods.
Python
2
star
13

QuantumCourses

Quantum mechanics related courses taught by the CMM
Jupyter Notebook
1
star
14

gpxrdpy

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