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compile_latex

Python3 script for compiling latex documents using pdflatex.

dfg-basic-module-latex

A Latex class and tex file for writing grant proposal for DFG's Basic Module in English.

dta2csv

Python3 script to covert a World Band dta-formatted data file to acsv-formatted file.

example_md_protein_ligand

Two examples (implicit and explicit water) for model preparation and execution of MD simulations for a protein with a bound ligand.

h-brs_methodstraining

hbrs_letterhead

A latex template for an H-BRS letter.

hbrs_machine_learning_tutorials

latex_examples

Short examples of Latex documents, plus a Python3 code for compiling them.

latex_presentation_hbrs

lignin

Lignin research at H-BRS

peer-review-lecture

Graduate student lecture for conducting peer review.

piel_atom_typing

Nico Piel's bachelor thesis research for atom typing.

psi4_examples

pypeerreview-matching

Python script to facilitate the matching of reviewers with reviewees, using CSV-formatted input files

python_grading_guis

Collection of grading schemes used in my courses.

resp_w_psi4

Original: A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4

sars-cov-2-3d-structures

Three-dimensional conformations of potential active compounds for SARS-Cov-2 treatment determined using quantum mechanics theories.

scientific_programming_course

Course material for Scientific Programming with Python given at University of Applied Science Bonn-Rhein-Sieg.

scipro_assignments_grading

This repository provides a brower-based feedback form concerning student homework solutions for a Python course. While specific for my own course, it can be easily adapted for other courses.

scipro_grading_testing