German Barcenas's repositories
molecularScreening
This notebook takes in a SMILES string and outputs a Gaussian .gjf file, and it can also work backwards
dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:FortranNOASSERTION000
hello-world
first project
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materials_modeling
MSE 563 Computational Materials Modeling
Language:Jupyter Notebook000
Language:Jupyter Notebook000
Modeling_Matters
GitHub repository for the Matter Modeling Stack Exchange.
Language:Roff000
MolecularNodes
Addon and nodes for working with structural biology and molecular data in Blender.
Language:PythonMIT000
Language:Matlab000
putty-color-themes
PuTTY Color Themes
Language:JavaScript000
PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
Language:PythonLGPL-3.0000
rustlings
:crab: Small exercises to get you used to reading and writing Rust code!
MIT000
skills-introduction-to-github
My clone repository
MIT000