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Molecular MHFP fingerprints for cheminformatics applications
Minimal and clean examples of machine learning algorithms
Machine learned force field
MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online
chemical graph theory library for JavaScript
semi-empirical geometry optimization
Fit ab-initio potential energy surface to Morse force field
Docker build for Materials Project Jupyter container
Jupyterhub for spinning up materials project notebook environments
mpi4py examples
MPI parallelization for PySCF
Multi-algorithm collaborative crystal structure prediction
mxGraph is a fully client side JavaScript diagramming library
A parallel neural net microframework
Backpropagation neural network in Fortran 90/95
WebGL protein viewer
library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization
Flow-based reimplementation of the Jekyll static site generator
Solving linear, nonlinear equations, ordinary differential equations, ... using numerical methods in fortran
Call all Node.js modules directly from DOM/WebWorker and enable a new way of writing applications with all Web technologies.
ogpf is Object based interface to GnuPlot from Fortran 2003, 2008 and later
Open source Java-based chemistry library
A set of tools for extracting tables from PDF files helping to do data mining on (OCR-processed) scanned documents.
code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite compounds
Add Perovskite specific descriptors to existing data set by parsing empirical composition column into specific A,B,X site columns.
《我用爬虫一天时间“偷了”知乎一百万用户,只为证明PHP是世界上最好的语言 》所使用的程序
PIMD-F90 is a path integral molecular dynamics (PIMD) code written in Fortran-90 for studying nuclear quantum effects in water. The code performs classical MD or links to SIESTA DFT package.
a collection of javascript plugins
simple tool for crystal point group calculation
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.