Gillespie Algorithm - Stochastic Simulation of Chemical Reactions
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Updated
Jan 1, 2021 - C++
Gillespie Algorithm - Stochastic Simulation of Chemical Reactions
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Molecular Dynamics simulation coupled with chemical reactions
This repository is used to determine the settling time of a given biochemical reaction network using the approach described in the manuscript "An Automated Model Reduction Method for Biochemical Reaction Networks" published in "Symmetry".
A Django Project for balancing chemical equations
A Bio2BEL package for converting BMKS-react to BEL
A chemistry learning game that allows you to practice balancing chemical equations.
An object-oriented cheminformatics library.
This repository contains interfaces for python to the OpenSMOKE++ framework
A balanced distribution of domain expertise (Chemical dependence and stoichiometry) and machine learning algorithms to derive the most accurate estimate of water quality over given time. Emphasis on algorithms that have been tweaked to bring about good results. Proof-driven and tested concept.
👩🏻🔬 Implementation of the molecular programming language CRN++
Poster presented at ELLIS Workshop - Machine Learning for Molecule Discovery.
Stochastic simulation of CRISPR nucleases cleaving a pool of DNA or RNA
Stochastic chemical kinetics using Gillespie algorithm and chemical master equation, application to enzyme kinetics
C and Python interface for the OpenSMOKE++ library
Code for predicting product formation for a Buchwald reaction
Computational modeling practical exercises.
Design of Experiments Numerical Utility Toolkit
Utilities for programming that involves chemical substances and reactions
🧪 Create, predict and simulate successful or unsuccessful chemical reactions. Explore and expand the chemical universe.
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