manassharma07/RIPER-Embed-Input-Creator

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Created almost 2 years ago
Updated 8 months ago

manassharma07/RIPER-Embed-Input-Creator

manassharma07

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Input file creator for DFT based embedding calculations using TURBOMOLE riper module

English-Dictionary-CSV

English Dictionary in a CSV File

crysx_nn

A simplistic and efficient pure-python neural network library from Phys Whiz.

Curve_Fitting-AndroidApp

Android App to find the best fit for a given set of data.

MNIST-PLUS

Extended MNIST dataset with more examples of handwritten digits with more variations than the original MNIST.

CrystalVisualizer

An android app that uses the open source JSmol library to display .CIF files for viewing crystal structures.

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.

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

LK99

This repo provides the structure files of LK99 and related materials reported in the literature. Hopefully, it will be useful to Computational Material Scientists

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.

Jupyter Notebook

Microstructure_Classification_App

Numerical_Integration_Demo

A streamlit web app demsontrating numerical integration methods like Trapezoidal, Simpson's 1/3rd and Simpson's 3/8th rule.

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)