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Name: Simon
Type: User
Location: Germany
Name: Simon
Type: User
Location: Germany
A C++ library implementing basic chemical constructs such as elements, substances, reactions.
A curated list of Python packages related to chemistry
Our new Binary Activity Thermodynamics (BAT) modeling framework, which describes a mixture of organics with water as binary mixtures of one organic and associated water.
chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)
Clapeyron (formerly OpenSAFT) provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Thermophysical properties for the masses
A Benchmark Implementation of COSMO-SAC
DWSIM - Chemical Process Simulator for Desktop (6.x series)
Expiring persistent dict, backed by sqlite3 and pickle, multithread-safe.
A MATLAB toolbox for exporting publication quality figures
Functional-Segment Activity Coefficient model
A collection of all equation of state and DFT models implemented within the FeOs framework.
Fermi quantum chemistry program
A C++ library for calculation of thermodynamic and electrostatic properties of pure fluids.
Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
An open source python library for equilibrium calculation based on global minimization of Gibbs free energy.
HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction
python libray for IAPWS standard calculation of water and steam properties
MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
Some matlab scripts
Molecule Validation and Standardization
Python module for interfacing with NIST Webbook (a chemistry resource)
Functions implementing the NRTL activity coefficient model.
Optical Chemical Structure Recognition Tool (based on OSRA)
Datasets for open forcefield parameterization and development
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.