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i-pi

i-PI: a universal force engine

igen

iGen allows for interactive generation of Gaussian 16 input files (.com's) from .xyz's or .gjf's in a local directory.

igvpt2

iGVPT2 is a program for computing anharmonic corrections to vibration frequencies, based on force field expansion of the potential energy surface in normal mode coordinates.

ijavascript

IJavascript is a javascript kernel for the Jupyter notebook

imbalanced-learn

Python module to perform under sampling and over sampling with various techniques.

img2html

Convert image to HTML

incubator-predictionio

PredictionIO, a machine learning server for developers and ML engineers. Built on Apache Spark, HBase and Spray.

industry-machine-learning

A curated list of applied machine learning and data science notebooks and libraries across different industries (by @firmai)

inferenceengine

Threaded NetworkX graph insertion from stream to Node+SigmaJS app

information-extraction-chinese

Chinese Named Entity Recognition with IDCNN/biLSTM+CRF, and Relation Extraction with biGRU+2ATT 中文实体识别与关系提取

intellichess

Chinese Chess AI game client

interactive-coding-challenges

Huge update! Interactive Python coding interview challenges (algorithms and data structures). Includes Anki flashcards.

interactive-corporate-report

ICR - Automated and Intelligent Company Report Built in Python (by @firmai)

interpret

Fit interpretable models. Explain blackbox machine learning.

interpret-community

The Interpret Community extends Interpret repo with additional interpretability techniques and utility functions to handle real-world datasets and workflows.

interpret-text

A library that incorporates state-of-the-art explainers for text-based machine learning models and visualizes the result with a built-in dashboard.

ipt

Tilting estimators for program evaluation for Python 3

ipython-d3networkx

D3 Widget examples

irc

Transfrormation between Cartesian coordinates and redundant internal coordinates

iris

A powerful, format-agnostic, and community-driven Python library for analysing and visualising Earth science data

ispectron

ivo

A plugin of psi4 for improved virtual orbital (STEX)

jacopo

A Program for the calculation of electronic couplings with various methods

japan_mahjong-ai-project

This project is a study of Japan Mahjong AI.

joyful-pandas

Pandas中文教程

jplot

Interactive charts for WIEN2K code

jquante

JQuante is a basic Java QM toolkit, written in Java, that is inspired by PyQuante.

jupyter-dark-theme

Dark theme for Jupyter Notebook UI

jupyterlab_3dmol

JupyterLab extension for py3Dmol

jurs

Real-space grid Density Functional Theory for large systems