Institute of Computational Biological Chemistry

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Welcome to the Institute of Computational Biological Chemistry.

Here you can find different packages, files and more!

Have a look at our webpage for more information: https://www.mdy.univie.ac.at

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FFGenOpt FFGenOpt Public

Rich Text Format 1 1
polarizabilities_prediction polarizabilities_prediction Public

Atomic polarizabilities for ionic liquids

Python 1

Repositories

asfe-4D Public

cbc-univie/asfe-4D’s past year of commit activity

Python 2 0 0 0 Updated Dec 15, 2025
useful_scripts Public

cbc-univie/useful_scripts’s past year of commit activity

Python 0 1 0 0 Updated Dec 4, 2025
cluster-monitoring Public

cbc-univie/cluster-monitoring’s past year of commit activity

Python 2 MIT 0 0 2 Updated Dec 1, 2025
protex Public
Proton exchange in solvent molecules using openMM

cbc-univie/protex’s past year of commit activity

Python 8 MIT 0 0 8 Updated Nov 25, 2025
openmm-ml Public
4d extensions to openmm-ml

cbc-univie/openmm-ml’s past year of commit activity

Python 0 0 0 0 Updated Oct 10, 2025
mdy-newanalysis-package Public
newanalysis contains all our homebrew functions for MDAnalysis

cbc-univie/mdy-newanalysis-package’s past year of commit activity

C 0 2 0 0 Updated Oct 8, 2025
mace Public
4d modifications to Mace

cbc-univie/mace’s past year of commit activity

Python 0 0 0 0 Updated Sep 12, 2025
transformato Public
Set up relative free energy calculations using a common scaffold

cbc-univie/transformato’s past year of commit activity

Python 24 MIT 6 4 2 Updated Aug 19, 2025
cuda_mace Public Forked from rubber-duck-debug/cuda-mace
CUDA implementations of MACE models

cbc-univie/cuda_mace’s past year of commit activity

C++ 0 2 0 0 Updated Aug 7, 2025
cp_properties Public

cbc-univie/cp_properties’s past year of commit activity

Python 1 0 0 0 Updated Jun 6, 2025

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