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David van der Spoel (@dspoel)

dspoel

Stars
99
Global Rank 209,271 (Top 8 %)
Followers 48
Registered over 11 years ago
Most used languages

Python
57.1 %

TeX
14.3 %

PHP
14.3 %

Jupyter Notebook
14.3 %
Location 🇸🇪 Sweden
Country Total Rank 2,180
Country Ranking

TeX
143

PHP
175

Jupyter Notebook
182

Python
380

Toy-MD

Python code for learning Molecular Dynamics simulations

remd-temperature-generator

Temperature generator for Replica Exchange MD simulations

IR-Spectra

Code and examples to compute IR spectra from normal mode analysis

Jupyter Notebook

nmr2gmxpy

Read NMR data files for proteins and generate GROMACS input files

MDBenchmark

Scripts and inputs to perform simulations of organic crystals and peptide crystals using GROMACS.

soup

cetoxa

A Computational Ecotoxicology Assay