Topic: chemical-reactions Goto Github
Some thing interesting about chemical-reactions
Some thing interesting about chemical-reactions
chemical-reactions,Gillespie Algorithm - Stochastic Simulation of Chemical Reactions
User: abdulrashidiii
chemical-reactions,Database on the RAtes of CHEmical and THErmonuclear Reactions
User: abelov91
chemical-reactions,Simple coupled level set with volume of fraction (sCLSVOF) solver integrated with transport of species
User: amirtaqi
chemical-reactions,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.
User: angaaruriakhil
chemical-reactions,This project can calculate limiting and excess reactants, and theoretical outputs, given a balanced chemical equation.
User: bcurbs
chemical-reactions,A Bio2BEL package for converting BMKS-react to BEL
Organization: bio2bel
chemical-reactions,Deep learning applied to chemical reaction prediction.
User: bretthannigan
chemical-reactions,Book on Chemical Reactions and Dynamical Systems
Organization: champsproject
Home Page: https://www.chemicalreactions.io/
chemical-reactions,World wide chemico community.Digital library and commuity portal for CHEMICAL engineers.
Organization: chemcasts
Home Page: chemcasts.vercel.app
chemical-reactions,ALPHA linkml rendering of rhea
Organization: chemkg
Home Page: https://chemkg.github.io/linkml-rhea
chemical-reactions,PyTorch code for an effective way of making a Molecular Graph Dataset in Torch Geometric involving a pair of graphs from chemical SMILE strings
User: deceptrax123
chemical-reactions,Two phase gas-liquid mass transfer and reaction. Gas travels in plug flow and liquid phase is ideally mixed.
User: derekharrison
chemical-reactions,A collection of chemistry theories, formulas, and calculators in Fortran, which prove & calculate these premises using software.
User: edwardcalzia
chemical-reactions,An object-oriented cheminformatics library.
User: elonlit
Home Page: https://javadoc.io/doc/io.github.elonlit/monomer
chemical-reactions,Code used to predict hydrogen atom transfer (HAT) energy barriers using Gaussian Process Regression
User: evulan
chemical-reactions,This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Python. The course will cover various topics, such as basic Python syntax, data structures, solving ODEs, stoichiometry, data visualization and basic data analysis.
User: fiammettac
chemical-reactions,๐งช A comprehensive chemistry library for Python.
User: harirakul
Home Page: https://chemlib.readthedocs.io/
chemical-reactions,Reaction Pathway Database
Organization: icredd-cheminfo
chemical-reactions,Simple Chemical Reaction Calculator
User: imaginatorix
Home Page: https://chemica-chemcal.herokuapp.com/
chemical-reactions,Stochastic Simulator of Chemical Reactions
User: jacons
chemical-reactions,Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
User: jeffrichardchemistry
Home Page: http://www.pysirc.com.br
chemical-reactions,This repo contains the code for the paper "Data-driven discovery of multiscale chemical reactions governed by the law of mass action"
User: juntaohuang
Home Page: https://www.sciencedirect.com/science/article/pii/S0021999121006380
chemical-reactions,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.
User: kalpanabaheti
chemical-reactions,Automated chemical reaction networking with long-timescale kinetic simulations in Julia
Organization: kinetica-jl
Home Page: https://kinetica-jl.github.io/Kinetica.jl/
chemical-reactions,Molecular Dynamics simulation coupled with chemical reactions
User: kneth
chemical-reactions,The user inserts a chemical reaction and the programme outputs n(t), C(t) (if appropriate) and U(t) plots by simulating the reaction.
User: konstantinosk31
Home Page: https://konstantinosk31.github.io/Chemical-Reaction-Simulator/
chemical-reactions,A very intuitive 2D chemical drawing tool
User: ksharindam
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".
User: manvelgasparyan
chemical-reactions,
User: mayank-mp05
Home Page: https://team-molequilizer.web.app/
chemical-reactions,A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
User: mjwen
Home Page: https://doi.org/10.1039/D0SC05251E
chemical-reactions,Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
User: mjwen
Home Page: https://doi.org/10.1039/D1SC06515G
chemical-reactions,A tool for retrosynthetic planning
Organization: molecularai
Home Page: https://molecularai.github.io/aizynthfinder/
chemical-reactions,The chemical reaction compound atom-to-atom mapping project.
Organization: neo-chem-synth-wave
Home Page: https://github.com/neo-chem-synth-wave
chemical-reactions,The computer-assisted chemical synthesis data source project.
Organization: neo-chem-synth-wave
Home Page: https://github.com/neo-chem-synth-wave
chemical-reactions,The NeoChemSynthWave: Chemistry project.
Organization: neo-chem-synth-wave
Home Page: https://github.com/neo-chem-synth-wave
chemical-reactions,3d engine implementation in DNA code!
User: pallada-92
Home Page: https://observablehq.com/@pallada-92/3d-engine-in-dna-code
chemical-reactions,Electrophysiology Chemical Drug Signal Identification, Fentanyl data...
User: paulsgithubs
chemical-reactions,A GGNN-GWM based step-wise framework for Chemical Synthesis Prediction
Organization: pfnet-research
chemical-reactions,a unified framework for modeling chemically reactive systems
Organization: reaktoro
Home Page: https://reaktoro.org
chemical-reactions,Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).
Organization: rxn4chemistry
Home Page: https://rxn4chemistry.github.io/rxnfp/
chemical-reactions,MATLAB modelling of Electric Arc Furnace under continuous operation.
User: sayyoungman
Home Page: https://github.com/SayYoungMan/EAF_modelling/blob/main/EAF_modelling_report.pdf
chemical-reactions,Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software.
Organization: sciml
Home Page: https://docs.sciml.ai/Catalyst/stable/
chemical-reactions,Julia Catalyst.jl importers for various reaction network file formats like BioNetGen and stoichiometry matrices
Organization: sciml
Home Page: https://docs.sciml.ai/ReactionNetworkImporters/stable/
chemical-reactions,A Django Project for balancing chemical equations
User: shivam-python
Home Page: https://equation-balancer.vercel.app
chemical-reactions,Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
Organization: sustainable-processes
chemical-reactions,This repository contains interfaces for python to the OpenSMOKE++ framework
User: tdinelli
Home Page: https://www.opensmokepp.polimi.it/
chemical-reactions,Python library for optimizing molecular structures and determining chemical reaction pathways.
Organization: theochem
chemical-reactions,A code for calculating the standard state thermodynamic properties at a given temperature and pressure.
Organization: thermohub
Home Page: https://thermohub.org/thermofun/thermofun/
chemical-reactions,a unified cross-architecture heterogeneous CFD solver
User: xfluids
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