Basis Set Format Converter

Overview

Basis Set Format Converter

Open in Streamlit

Repository for the online 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.

Web App is available here

Source code for the streamlit app is here.

The web app is powered by Basis Set Exchange Repository. In particular, this repo contains a specific branch of the Basis Set Exchange repository created by Susi Lehtola, which is available here.

Since, these repos are available under the BSD 3-Clause license, I have included them in this repository as is, however, I remind you about it nonetheless.

The only code written by me in this repo is in these two files: 1, 2.

Owner
Manas Sharma
Physicist
Manas Sharma
Stochastic Gradient Trees implementation in Python

Stochastic Gradient Trees - Python Stochastic Gradient Trees1 by Henry Gouk, Bernhard Pfahringer, and Eibe Frank implementation in Python. Based on th

John Koumentis 2 Nov 18, 2022
For making Tagtog annotation into csv dataset

tagtog_relation_extraction for making Tagtog annotation into csv dataset How to Use On Tagtog 1. Go to Project Downloads 2. Download all documents,

hyeong 4 Dec 28, 2021
A library to create multi-page Streamlit applications with ease.

A library to create multi-page Streamlit applications with ease.

Jackson Storm 107 Jan 04, 2023
Clean and reusable data-sciency notebooks.

KPACUBO KPACUBO is a set Jupyter notebooks focused on the best practices in both software development and data science, namely, code reuse, explicit d

Matvey Morozov 1 Jan 28, 2022
An experimental project I'm undertaking for the sole purpose of increasing my Python knowledge

5ePy is an experimental project I'm undertaking for the sole purpose of increasing my Python knowledge. #Goals Goal: Create a working, albeit lightwei

Hayden Covington 1 Nov 24, 2021
A highly efficient and modular implementation of Gaussian Processes in PyTorch

GPyTorch GPyTorch is a Gaussian process library implemented using PyTorch. GPyTorch is designed for creating scalable, flexible, and modular Gaussian

3k Jan 02, 2023
Python dataset creator to construct datasets composed of OpenFace extracted features and Shimmer3 GSR+ Sensor datas

Python dataset creator to construct datasets composed of OpenFace extracted features and Shimmer3 GSR+ Sensor datas

Gabriele 3 Jul 05, 2022
Stream-Kafka-ELK-Stack - Weather data streaming using Apache Kafka and Elastic Stack.

Streaming Data Pipeline - Kafka + ELK Stack Streaming weather data using Apache Kafka and Elastic Stack. Data source: https://openweathermap.org/api O

Felipe Demenech Vasconcelos 2 Jan 20, 2022
Python beta calculator that retrieves stock and market data and provides linear regressions.

Stock and Index Beta Calculator Python script that calculates the beta (β) of a stock against the chosen index. The script retrieves the data and resa

sammuhrai 4 Jul 29, 2022
This python script allows you to manipulate the audience data from Sl.ido surveys

Slido-Automated-VoteBot This python script allows you to manipulate the audience data from Sl.ido surveys Since Slido blocks interference from automat

Pranav Menon 1 Jan 24, 2022
Picka: A Python module for data generation and randomization.

Picka: A Python module for data generation and randomization. Author: Anthony Long Version: 1.0.1 - Fixed the broken image stuff. Whoops What is Picka

Anthony 108 Nov 30, 2021
A set of functions and analysis classes for solvation structure analysis

SolvationAnalysis The macroscopic behavior of a liquid is determined by its microscopic structure. For ionic systems, like batteries and many enzymes,

MDAnalysis 19 Nov 24, 2022
Projeto para realizar o RPA Challenge . Utilizando Python e as bibliotecas Selenium e Pandas.

RPA Challenge in Python Projeto para realizar o RPA Challenge (www.rpachallenge.com), utilizando Python. O objetivo deste desafio é criar um fluxo de

Henrique A. Lourenço 1 Apr 12, 2022
Cleaning and analysing aggregated UK political polling data.

Analysing aggregated UK polling data The tweet collection & storage pipeline used in email-service is used to also collect tweets from @britainelects.

Ajay Pethani 0 Dec 22, 2021
This is an analysis and prediction project for house prices in King County, USA based on certain features of the house

This is a project for analysis and estimation of House Prices in King County USA The .csv file contains the data of the house and the .ipynb file con

Amit Prakash 1 Jan 21, 2022
A forecasting system dedicated to smart city data

smart-city-predictions System prognostyczny dedykowany dla danych inteligentnych miast Praca inżynierska realizowana przez Michała Stawikowskiego and

Kevin Lai 1 Nov 08, 2021
Orchest is a browser based IDE for Data Science.

Orchest is a browser based IDE for Data Science. It integrates your favorite Data Science tools out of the box, so you don’t have to. The application is easy to use and can run on your laptop as well

Orchest 3.6k Jan 09, 2023
Display the behaviour of a realtime program with a scope or logic analyser.

1. A monitor for realtime MicroPython code This library provides a means of examining the behaviour of a running system. It was initially designed to

Peter Hinch 17 Dec 05, 2022
Hg002-qc-snakemake - HG002 QC Snakemake

HG002 QC Snakemake To Run Resources and data specified within snakefile (hg002QC

Juniper A. Lake 2 Feb 16, 2022
2019 Data Science Bowl

Kaggle-2019-Data-Science-Bowl-Solution - Here i present my solution to kaggle 2019 data science bowl and how i improved it to win a silver medal in that competition.

Deepak Nandwani 1 Jan 01, 2022