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x2camf

SOC integrals generator with atomic mean field approximation

x2chem

Mirror of the official repository at https://urania.chem.washington.edu/chronusq/x2chem.git

x2dhf

Two-Dimensional Finite Difference Hartree-Fock Program

xam

:dart: Personal data science and machine learning toolbox

xanes

A practical guide on how to use FDMNES software to do XANES

xaos

Real-time interactive fractal zoomer

xboost

eXetremely fast ada-Boost library

xcfun

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

xconfigure

High-Performance configuration patterns and recipes.

xdh4gau

xdh4orca

xitorch

Differentiable scientific computing library

xmnlp

A Lightweight Chinese Natural Language Processing Toolkit，提供中文分词, 中文词性标注, 文本纠错，文本转拼音，情感分析...

xopt

eXternal OPTimizer for quantum chemistry

xtalopt

Official public repository for the XtalOpt crystallographic evolutionary algorithm

xtb

Semiempirical Extended Tight-Binding Program Package

xtb-gaussian

A wrapper to run xtb inside Gaussian.

xtb_docs

xtbdft

wrapper script for molecular modelling powered by CREST/GFN2-XTB and NWChem (DFT)

xtbiff

General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations

xtp

Extension library for internal quantum-chemical calculations, provides GW-BSE modules and support for exciton dynamics.

xx-net

A proxy tool to bypass GFW.

xyz-wfn-db

Collection of xyz structures and wfn files

xyz2graph

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

xyz_utilities

This repository contains Python scripts for manipulating files in "xyz" format

ydata-profiling

Create HTML profiling reports from pandas DataFrame objects

ydata-quality

Data Quality assessment with one line of code

ydata-synthetic

Synthetic data generators for tabular and time-series data

yellowbrick

Visual analysis and diagnostic tools to facilitate machine learning model selection.

yooreeka

A library for data mining, machine learning, soft computing, and mathematical analysis