Manas Sharma's repositories
English-Dictionary-CSV
English Dictionary in a CSV File
Curve_Fitting-AndroidApp
Android App to find the best fit for a given set of data.
Basis_Set_Format_Converter
This is a web application/ onilne tool that allows you to enter a basis set in the form of text input for a variety of Quantum Chemistry softwares, and convert it to another format.
CrystalVisualizer
An android app that uses the open source JSmol library to display .CIF files for viewing crystal structures.
MNIST-PLUS
Extended MNIST dataset with more examples of handwritten digits with more variations than the original MNIST.
RIPER-Tools-for-TURBOMOLE
A streamlit web app to help you with setting up DFT calculations for the RIPER module of TURBOMOLE and to analyze the results
CrysX-CompChem-File-Converter
This online tool allows you to enter a molecular geometry file in various formats, and convert it to another format that you desire.
Numerical_Integration_Demo
A streamlit web app demsontrating numerical integration methods like Trapezoidal, Simpson's 1/3rd and Simpson's 3/8th rule.
RIPER-Embed-Input-Creator
Input file creator for DFT based embedding calculations using TURBOMOLE riper module
cluster-opt-bgo
Bayesian Global Optimization for Minimum Energy Cluster Identification
CrysX_Demo-DFT
A streamlit web application demonstrating Density Functional Theory and related methods in action.
CrysX_Demo_DFT_based_Embedding
A streamlit web application demonstrating the DFT based embedding methods based on FDE and projection operators in action.
Cube_Suite
A streamlit web GUI to process and manipulate cube files generated by quantum chemistry programs and powered by the Cube Toolz python library (https://github.com/funkymunkycool/Cube-Toolz)
dftfe
DFT-FE: Real-space DFT calculations using Finite Elements
dftfe-GUI
A web app to help you create input files for DFT-FE https://github.com/dftfeDevelopers/dftfe, a KS-DFT code.
English-Words-CSV
A list of words from English Language in a CSV file.