Pinned Repositories
automate_solvation
Automating the file generation for QM/MM solvation calculation
bin
A combination of scripts and executables for running atomistic simulations and analyzing results.
chemical_looping
Utility scripts for DFT calculations employed for chemical looping project
dft_utility
Various utility scripts to convert file formats and analyze results
free_energy_calculations
A repository of scripts for free energy calculations in vapor and condensed phases
materials_project
Mono-metal oxides data queried from materials project
medium_scraper
The Selenium scraper that collected a million stories from Medium.com
mosaleheen
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
python
Learning algorithms and data science tools in python.
mosaleheen's Repositories
mosaleheen/chemical_looping
Utility scripts for DFT calculations employed for chemical looping project
mosaleheen/automate_solvation
Automating the file generation for QM/MM solvation calculation
mosaleheen/bin
A combination of scripts and executables for running atomistic simulations and analyzing results.
mosaleheen/dft_utility
Various utility scripts to convert file formats and analyze results
mosaleheen/free_energy_calculations
A repository of scripts for free energy calculations in vapor and condensed phases
mosaleheen/materials_project
Mono-metal oxides data queried from materials project
mosaleheen/medium_scraper
The Selenium scraper that collected a million stories from Medium.com
mosaleheen/mosaleheen
mosaleheen/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
mosaleheen/python
Learning algorithms and data science tools in python.
mosaleheen/Udemy-Python-for-Data-Science-and-Machine-Learning-Bootcamp
Code Repo with My Solved Exercises From the Udemy Bootcamp