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cp2k_mtools

This Python package is intended to help running multiple CP2k calculations for the same system or multiple similar systems.

cpcm-x

Extended conductor-like polarizable continuum solvation model

cpmd

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

cqr

Conformalized Quantile Regression

crcl2kaxes_example

Example scripts for calculating the Kalpha XES or CrCl2 using FPLO and Quanty

creme

🍨 Online machine learning in Python

critic2-1

Analysis of quantum chemical interactions in molecules and solids.

crypto-rnn

Learning the Enigma with Recurrent Neural Networks

crystalatte

Set of scripts to automate the calculation of crystal lattice energies.

cs158-deep-forests

cse40647.sp14

Data Mining

ctgan

Conditional GAN for Tabular Data

cuml

cuML - RAPIDS Machine Learning Library

cupy

NumPy-like API accelerated with CUDA

cyclegan

Software that can generate photos from paintings, turn horses into zebras, perform style transfer, and more.

cytoscape.js

Graph theory / network library for analysis and visualisation (compatible with CommonJS/Node.js/Browserify/Webpack, AMD/Require.js, npm, Bower, jspm, Meteor, jQuery, and plain JS/JavaScript)

d3-force-directed-graph

Contains all examples of our "Interactive & Dynamic Force-Directed Graphs with D3" blog post

daal

Intel® Data Analytics Acceleration Library (Intel® DAAL)

damqt

darknet

Windows and Linux version of Darknet Yolo v2 Neural Networks for object detection

dask-learn

Tools for working with scikit-learn and dask.

dask-ml

Distributed and parallel machine learning

data_analytics_che

Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.

dataanalysis

Coursera data analysis course, done in Python

datadrivenchemistry

AC 209 Data Science Final project - A data driven, Quantum Mechanical understanding of Chemistry AKA Trying to make sense of 134k quantum calculations

datamol

Molecular Manipulation Made Easy.

datascience-1

这里只有干货

datascience-2

Curated list of Python resources for data science.

datasciencebowl3

Code for all Data Science Bowl 3 written by JAT

dataset

Easy-to-use data handling for SQL data stores with support for implicit table creation, bulk loading, and transactions.