Valentina Erastova's starred repositories
topography_atlas_of_space
Code and instructions for making topographic maps of planets and moons
GromacsWrapper
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
vpython-jupyter
3D visualization made easy
openpathsampling
An open source Python framework for transition interface and path sampling calculations.
matlab-novice-inflammation
Programming with MATLAB
LSP-Grammarly
Grammarly support for Sublime's LSP plugin, using the Grammarly language server
jekyll-starter-kit
A simple framework for starting your own Jekyll project
interfaceff2gro
A python script to prepare GROMACS input files using INTERFACE forcefield
FTMSVisualization
A suite of tools for visualizing complex mixture FT-MS data
LigParGen_2.3
LigParGen python package version 2.3 (beta)
IR-Spectra
Code and examples to compute IR spectra from normal mode analysis
pH-diagrams
A Python package to plot fractional composition diagrams and pH-log c diagrams
math-with-slack
Rendered math (MathJax) with Slack's desktop client (fork adds macro support)
Clay-Project
Scripts for project