GitHub topics: ions
Karim-Ib/MD_Lammps_analysis
Package used in my master thesis to analyze the behaviour of H3O and OH ions in water, with a focus on the recombination process.
Language: Jupyter Notebook - Size: 58 MB - Last synced at: about 1 hour ago - Pushed at: about 14 hours ago - Stars: 1 - Forks: 0
lmmentel/mendeleev
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
Language: Python - Size: 14.1 MB - Last synced at: 3 days ago - Pushed at: 24 days ago - Stars: 253 - Forks: 49
simongravelle/lammps-input-files
LAMMPS inputs and data files
Size: 131 MB - Last synced at: 6 days ago - Pushed at: 8 months ago - Stars: 256 - Forks: 103
mims-harvard/ATOMICA
ATOMICA: Learning Universal Representations of Intermolecular Interactions
Language: Python - Size: 13.9 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 109 - Forks: 10
fill-10/hop_lmp
ion hopping mechanism for pdb and lammps trj
Language: Python - Size: 314 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 3 - Forks: 0
Eben60/Mendeleev.jl
A Julia package for accessing chemical elements data.
Language: Julia - Size: 1.27 MB - Last synced at: 15 days ago - Pushed at: 6 months ago - Stars: 22 - Forks: 0
alec-glisman/Polyelectrolyte-Surface-Adsorption
PLUMED-patched GROMACS molecular dynamics simulations repository used for my anti-scaling research project in the Wang Group.
Language: Shell - Size: 234 MB - Last synced at: about 2 months ago - Pushed at: about 1 year ago - Stars: 1 - Forks: 0
sahaua/pkaESSRIM
The pkaESSRIM program
Language: Python - Size: 23.4 KB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0
GrimReaper2654/Chemistry-Revision
Just something for me to practive chemistry
Language: JavaScript - Size: 2.97 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 6 - Forks: 0
gromacstutorials/.github
GROMACS tutorials for both beginners and advanced users
Size: 15.6 KB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0
ryantwt07/Ion-Identification
This repository is a gift to my Pure Chemistry teacher. This repository is a game that allows you to guess ions by running tests.
Size: 1000 Bytes - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0
mqcomplab/SIE_descriptors
quantifying specific ion effects through charge transfer models
Language: Python - Size: 7.79 MB - Last synced at: about 1 year ago - Pushed at: about 2 years ago - Stars: 3 - Forks: 1
softmaterialslab/nanoconfinement-md
This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
Language: Jupyter Notebook - Size: 488 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 5 - Forks: 13
saagarjha/ions
List of ions for 68k TI calculators
Language: C - Size: 12.7 KB - Last synced at: about 2 months ago - Pushed at: about 8 years ago - Stars: 5 - Forks: 2
