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
Integrate bus data from a variety of sources (batch processing and real time processing).

Purpose: This is integrate bus data from a variety of sources such as: csv, json api, sensor data ... into Relational Database (batch processing and r

1 Nov 25, 2021
Methylation/modified base calling separated from basecalling.

Remora Methylation/modified base calling separated from basecalling. Remora primarily provides an API to call modified bases for basecaller programs s

Oxford Nanopore Technologies 72 Jan 05, 2023
Data exploration done quick.

Pandas Tab Implementation of Stata's tabulate command in Pandas for extremely easy to type one-way and two-way tabulations. Support: Python 3.7 and 3.

W.D. 20 Aug 27, 2022
WithPipe is a simple utility for functional piping in Python.

A utility for functional piping in Python that allows you to access any function in any scope as a partial.

Michael Milton 1 Oct 26, 2021
scikit-survival is a Python module for survival analysis built on top of scikit-learn.

scikit-survival scikit-survival is a Python module for survival analysis built on top of scikit-learn. It allows doing survival analysis while utilizi

Sebastian Pölsterl 876 Jan 04, 2023
Pyspark project that able to do joins on the spark data frames.

SPARK JOINS This project is to perform inner, all outer joins and semi joins. create_df.py: load_data.py : helps to put data into Spark data frames. d

Joshua 1 Dec 14, 2021
Exploratory Data Analysis of the 2019 Indian General Elections using a dataset from Kaggle.

2019-indian-election-eda Exploratory Data Analysis of the 2019 Indian General Elections using a dataset from Kaggle. This project is a part of the Cou

Souradeep Banerjee 5 Oct 10, 2022
The official pytorch implementation of ViTAE: Vision Transformer Advanced by Exploring Intrinsic Inductive Bias

ViTAE: Vision Transformer Advanced by Exploring Intrinsic Inductive Bias Introduction | Updates | Usage | Results&Pretrained Models | Statement | Intr

104 Nov 27, 2022
Single machine, multiple cards training; mix-precision training; DALI data loader.

Template Script Category Description Category script comparison script train.py, loader.py for single-machine-multiple-cards training train_DP.py, tra

2 Jun 27, 2022
Pandas-based utility to calculate weighted means, medians, distributions, standard deviations, and more.

weightedcalcs weightedcalcs is a pandas-based Python library for calculating weighted means, medians, standard deviations, and more. Features Plays we

Jeremy Singer-Vine 98 Dec 31, 2022
📊 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
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
Supply a wrapper ``StockDataFrame`` based on the ``pandas.DataFrame`` with inline stock statistics/indicators support.

Stock Statistics/Indicators Calculation Helper VERSION: 0.3.2 Introduction Supply a wrapper StockDataFrame based on the pandas.DataFrame with inline s

Cedric Zhuang 1.1k Dec 28, 2022
PySpark bindings for H3, a hierarchical hexagonal geospatial indexing system

h3-pyspark: Uber's H3 Hexagonal Hierarchical Geospatial Indexing System in PySpark PySpark bindings for the H3 core library. For available functions,

Kevin Schaich 12 Dec 24, 2022
WaveFake: A Data Set to Facilitate Audio DeepFake Detection

WaveFake: A Data Set to Facilitate Audio DeepFake Detection This is the code repository for our NeurIPS 2021 (Track on Datasets and Benchmarks) paper

Chair for Sys­tems Se­cu­ri­ty 27 Dec 22, 2022
Pypeln is a simple yet powerful Python library for creating concurrent data pipelines.

Pypeln Pypeln (pronounced as "pypeline") is a simple yet powerful Python library for creating concurrent data pipelines. Main Features Simple: Pypeln

Cristian Garcia 1.4k Dec 31, 2022
Stock Analysis dashboard Using Streamlit and Python

StDashApp Stock Analysis Dashboard Using Streamlit and Python If you found the content useful and want to support my work, you can buy me a coffee! Th

StreamAlpha 27 Dec 09, 2022
X-news - Pipeline data use scrapy, kafka, spark streaming, spark ML and elasticsearch, Kibana

X-news - Pipeline data use scrapy, kafka, spark streaming, spark ML and elasticsearch, Kibana

Nguyễn Quang Huy 5 Sep 28, 2022
A Big Data ETL project in PySpark on the historical NYC Taxi Rides data

Processing NYC Taxi Data using PySpark ETL pipeline Description This is an project to extract, transform, and load large amount of data from NYC Taxi

Unnikrishnan 2 Dec 12, 2021
Data Analysis for First Year Laboratory at Imperial College, London.

Data Analysis for First Year Laboratory at Imperial College, London. For personal reference only, and to reference in lab reports and lab books.

Martin He 0 Aug 29, 2022