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
A collection of learning outcomes data analysis using Python and SQL, from DQLab.

Data Analyst with PYTHON Data Analyst berperan dalam menghasilkan analisa data serta mempresentasikan insight untuk membantu proses pengambilan keputu

6 Oct 11, 2022
Desafio 1 ~ Bantotal

Challenge 01 | Bantotal Please read the instructions for the challenge by selecting your preferred language below: Español Português License Copyright

Maratona Behind the Code 44 Sep 28, 2022
Datashredder is a simple data corruption engine written in python. You can corrupt anything text, images and video.

Datashredder is a simple data corruption engine written in python. You can corrupt anything text, images and video. You can chose the cha

2 Jul 22, 2022
Universal data analysis tools for atmospheric sciences

U_analysis Universal data analysis tools for atmospheric sciences Script written in python 3. This file defines multiple functions that can be used fo

Luis Ackermann 1 Oct 10, 2021
A computer algebra system written in pure Python

SymPy See the AUTHORS file for the list of authors. And many more people helped on the SymPy mailing list, reported bugs, helped organize SymPy's part

SymPy 9.9k Dec 31, 2022
A Python module for clustering creators of social media content into networks

sm_content_clustering A Python module for clustering creators of social media content into networks. Currently supports identifying potential networks

72 Dec 30, 2022
OpenDrift is a software for modeling the trajectories and fate of objects or substances drifting in the ocean, or even in the atmosphere.

opendrift OpenDrift is a software for modeling the trajectories and fate of objects or substances drifting in the ocean, or even in the atmosphere. Do

OpenDrift 167 Dec 13, 2022
Py-price-monitoring - A Python price monitor

A Python price monitor This project was focused on Brazil, so the monitoring is

Samuel 1 Jan 04, 2022
Full automated data pipeline using docker images

Create postgres tables from CSV files This first section is only relate to creating tables from CSV files using postgres container alone. Just one of

1 Nov 21, 2021
Data analysis and visualisation projects from a range of individual projects and applications

Python-Data-Analysis-and-Visualisation-Projects Data analysis and visualisation projects from a range of individual projects and applications. Python

Tom Ritman-Meer 1 Jan 25, 2022
Handle, manipulate, and convert data with units in Python

unyt A package for handling numpy arrays with units. Often writing code that deals with data that has units can be confusing. A function might return

The yt project 304 Jan 02, 2023
Create HTML profiling reports from pandas DataFrame objects

Pandas Profiling Documentation | Slack | Stack Overflow Generates profile reports from a pandas DataFrame. The pandas df.describe() function is great

10k Jan 01, 2023
Monitor the stability of a pandas or spark dataframe ⚙︎

Population Shift Monitoring popmon is a package that allows one to check the stability of a dataset. popmon works with both pandas and spark datasets.

ING Bank 403 Dec 07, 2022
Spectacular AI SDK fuses data from cameras and IMU sensors and outputs an accurate 6-degree-of-freedom pose of a device.

Spectacular AI SDK examples Spectacular AI SDK fuses data from cameras and IMU sensors (accelerometer and gyroscope) and outputs an accurate 6-degree-

Spectacular AI 94 Jan 04, 2023
📊 Python Flask game that consolidates data from Nasdaq, allowing the user to practice buying and selling stocks.

Web Trader Web Trader is a trading website that consolidates data from Nasdaq, allowing the user to search up the ticker symbol and price of any stock

Paulina Khew 21 Aug 30, 2022
Pandas and Spark DataFrame comparison for humans

DataComPy DataComPy is a package to compare two Pandas DataFrames. Originally started to be something of a replacement for SAS's PROC COMPARE for Pand

Capital One 259 Dec 24, 2022
Time ranges with python

timeranges Time ranges. Read the Docs Installation pip timeranges is available on pip: pip install timeranges GitHub You can also install the latest v

Micael Jarniac 2 Sep 01, 2022
Utilize data analytics skills to solve real-world business problems using Humana’s big data

Humana-Mays-2021-HealthCare-Analytics-Case-Competition- The goal of the project is to utilize data analytics skills to solve real-world business probl

Yongxian (Caroline) Lun 1 Dec 27, 2021
Semi-Automated Data Processing

Perform semi automated exploratory data analysis, feature engineering and feature selection on provided dataset by visualizing every possibilities on each step and assisting the user to make a meanin

Arun Singh Babal 1 Jan 17, 2022
Data Analytics on Genomes and Genetics

Data Analytics performed on On genomes and Genetics dataset to predict genetic disorder and disorder subclass. DONE by TEAM SIGMA!

1 Jan 12, 2022