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Sample module for Python-Guide.org.
SchNetPack - Deep Neural Networks for Atomistic Systems
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
Lectures on scientific computing with python, as IPython notebooks.
Python pandas-based toolkit for explorative spectroscopy, in particular UVVis spectroscopic data.
Scripts developed for making the day a bit more efficient.
Reference implementation of the Symmetric Gradient Domain Machine Learning model
R package that streamlines spectral data processing and modeling for spectroscopy applications
Kinetic Monte Carlo simulator for polymerization reactions
Sire Molecular Simulations Framework
A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
Repository for SNAP model development
Module for reading, exploring and converting *.spc spectroscopic binary data in Python.
Machine learning software for rapid analysis of scientific spectra.
Stellar spectra features with machine learning
Public release repository for STochastic Engine of Pathway Simulation (STEPS)
This project demonstrates how to apply machine learning algorithms to distinguish "good" stocks from the "bad" stocks.
Data and code of my Medium story on stock prediction with TensorFlow
Stock Price Prediction using Machine Learning Techniques
An intelligent recommender system for stock analyzing, predicting and trading
This code computes structure factors using the PME approach. Either the electron density structure factor can be computed for X-ray scattering (uses form factors), or the total charge density can be computed (uses input force field charges) to evaluate sum rules
Style guides for Google-originated open-source projects
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
An Open Source Machine Learning Framework for Everyone
Tensorflow + Molecules = TensorMol
A UCSF Chimera plugin for Tetr - a pre-processing tool for DFT codes such as CP2K
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.