TimotheMelin

I am computational and theoretical chemist that love to program and write scripts to make other people life much easier :)

Paris, France

Pinned Repositories

5d-Ln-An_ioparse-nwchem
codes for parsing, generating output/input files in nwchem for our projects involving heavy element calculations
Language:Python00
5d_project
00
misc_python_scripts
Python scripts written during gradschool and not updated since then
Language:Python00
poltype2
Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
Language:Python00
script_bash
Language:Shell00
poltype2
Poltype 2: Automated Parameterization for AMOEBA
Language:Python44 11 4812

TimotheMelin's Repositories

TimotheMelin/5d-Ln-An_ioparse-nwchem
codes for parsing, generating output/input files in nwchem for our projects involving heavy element calculations
Language:Python00
TimotheMelin/5d_project
00
TimotheMelin/script_bash
Language:Shell00