Eric Shamay (@eshamay)
github

eshamay

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Top repositories

1

interfacemd

Tools for working with data from molecular dynamics simulations. Trajectory analysis, computational spectroscopy, density plots, distribution functions, atoms/molecules/systems - specializing in aqueous (water) systems made using Amber, Gromacs, and CP2K simulation packages.
C++
8
star
2

lisp-md

LISP based Molecular Dynamics tools
Common Lisp
5
star
3

mdsystem

Directory structure and files for my personal MD simulation setup
Shell
3
star
4

Aqueous-Salt-Analysis

Analyzing aqueous salts at water interfaces with CCl4
Python
2
star
5

Arcade

refactoring an new version of the md system code
C++
1
star
6

Corpus

Fortran routines for molecular dynamics analysis & processing
Fortran
1
star
7

succinic-study

Succinic Acid MD study results
1
star
8

so2-cluster

computational simulation work on sulfur dioxide molecules on water surfaces
Python
1
star
9

Resume

My resume
1
star
10

AmberMD

Files for my md projects using Amber
Shell
1
star
11

so2temperature

Article about work on temperature effects on so2 surface behavior on water
Python
1
star
12

SaltText

Published article on the effect of adding salts to an aqueous/CCl4 interface
1
star
13

diacid-study

1
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14

ergos

Ergos project in Haskell
Haskell
1
star
15

Frumpy

C++
1
star
16

malonic-study

Python
1
star
17

Dolphinium

some test stuff for data structures and algorithms
C++
1
star
18

HaskellMD

Utilities for working with MD systems in Haskell
Haskell
1
star
19

SulfurDioxideText

Compilation of text regarding the research on so2 done in the Richmond lab
Shell
1
star
20

Bromide

Python scripts for plotting and data analysis of MD results
Python
1
star