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HITS gGmbH – Molecular and Cellular Modeling (@HITS-MCM)

HITS-MCM

Stars
113
Global Org. Rank 54,664 (Top 18 %)
Registered over 5 years ago
Most used languages

Jupyter Notebook
50.0 %

Fortran
16.7 %

Python
16.7 %

C++
16.7 %
Location 🇩🇪 Germany
Country Total Rank 11,551
Country Ranking

Fortran
176

Jupyter Notebook
280

C++
1,635

MD-IFP

MD trajectory analysis using protein-ligand Interaction Fingerprints

Jupyter Notebook

gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS

tauRAMD

Computation of the drug-target relative residence times from RAMD simulations

Jupyter Notebook

RASPDplus

Associated code and software for "RASPD+: Fast protein-ligand binding free energy prediction using simplified physicochemical features"

Jupyter Notebook

ensembleCOMBINE

LigSuperposition