Pinned Repositories
analysis_viscosity
Calcuate viscosity from HOOMD log files.
cp2k-nvt
cp2k-nvt_version1
cp2kmdpy
mosdef_cp2k_writer
Python interface and simulation control engine that will enable scripted control and better documentation of CP2K simulations in accord with the goals of the CSSI MoSDeF project.
RealGas
Simple integration of real-gas effects into modeling and simulation environments.
signac-flow
Workflow management for signac-managed data spaces.
ramanishsingh's Repositories
ramanishsingh/mosdef_cp2k_writer
Python interface and simulation control engine that will enable scripted control and better documentation of CP2K simulations in accord with the goals of the CSSI MoSDeF project.
ramanishsingh/analysis_viscosity
Calcuate viscosity from HOOMD log files.
ramanishsingh/cp2k-nvt_version1
ramanishsingh/cp2k-nvt
ramanishsingh/cp2kmdpy
ramanishsingh/RealGas
Simple integration of real-gas effects into modeling and simulation environments.
ramanishsingh/signac-flow
Workflow management for signac-managed data spaces.
ramanishsingh/2012-assembly-artifacts
ramanishsingh/Aston
View and interpret UV-visible and mass spectrometry chromatographic data.
ramanishsingh/calculator
A simple Python package including a simple calculator class
ramanishsingh/cp2k
Quantum chemistry and solid state physics software package
ramanishsingh/cp2k-output-tools
Python tools to handle CP2K output files
ramanishsingh/foyer
A package for atom-typing as well as applying and disseminating forcefields
ramanishsingh/gmso
Flexible storage of chemical topology for molecular simulation
ramanishsingh/hbond_elliptical_analysis
ramanishsingh/IPL_hotstar
ramanishsingh/mbuild
A hierarchical, component based molecule builder
ramanishsingh/MCCCS-MN-MoSDeF_ReproducibilityProject
ramanishsingh/mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
ramanishsingh/mosdef_cp2kmcpy
ramanishsingh/my_matplotlib
Tips and tricks with matplotlib that I found useful during my PhD
ramanishsingh/PartialMolarProperties
Partial molar properties from molecular simulation using multiple linear regression
ramanishsingh/planckton
Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.
ramanishsingh/PyLAT
ramanishsingh/ramanish
ramanishsingh/reproducibility_study
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.
ramanishsingh/scattering
Functions for analyzing molecular simulations according to scattering experiments
ramanishsingh/signac-docs
Documentation for the signac framework.
ramanishsingh/SorbMetaML
Predicting hydrogen storage in nanoporous materials using meta-learning
ramanishsingh/voting_system_csci5801