Frankfurt, Germany

Tobias Hüfner

Advanced
@wutobias

r2z. A python class for building a ZMatrix from a RDKit molecule. We can also do coordinate transformations between ZMatrix and Cartesian space!

15

xtalmd-scripts. Collection of scripts for the xtalmd project in the Gilson Lab

4

gips. Development and Distribution of Gips - Building Models for Solvation Thermodynamics

3

CompSalad. My collection of educational resources.

3

fragresp. A package for deriving RESP partial charges for MM force fields

2

practicals-2023. Jupyter Notebook

2

collection. This is a collection of various bash and python scripts

1

BayesTyper. Python

1
8
Apply