World wide chemico community.Digital library and commuity portal for CHEMICAL engineers.
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Updated
Oct 24, 2023 - JavaScript
World wide chemico community.Digital library and commuity portal for CHEMICAL engineers.
Stochastic Simulator of Chemical Reactions
Gillespie Algorithm - Stochastic Simulation of Chemical Reactions
This project can calculate limiting and excess reactants, and theoretical outputs, given a balanced chemical equation.
The NeoChemSynthWave: Model project repository.
A Django Project for balancing chemical equations
An application that provides information about the chemical elements, and allows conversion between mole and mass fractions for a user defined chemical mixture of up to four components.
A Bio2BEL package for converting BMKS-react to BEL
The NeoChemSynthWave project repository.
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".
Electrophysiology Chemical Drug Signal Identification, Fentanyl data...
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.
The NeoChemSynthWave: Chemistry project repository.
The NeoChemSynthWave: Data project repository.
A collection of chemistry theories, formulas, and calculators in Fortran, which prove & calculate these premises using software.
Poster presented at ELLIS Workshop - Machine Learning for Molecule Discovery.
An object-oriented cheminformatics library.
This repository contains interfaces for python to the OpenSMOKE++ framework
PyTorch code for an effective way of making a Molecular Graph Dataset in Torch Geometric involving a pair of graphs from chemical SMILE strings
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