Search Results - RepositoryStats

53

91

gpl-3.0

12

General purpose tools for high-throughput catalysis

catalyst combinatorics chemical-kinetics materials-science chemical-engineering catalysis-informatics materials-informatics computational-chemistry chemical-reaction-networks

Created 2017-10-10

257 commits to master branch, last one 2 years ago

MomentClosure.jl augustinas1

6

45

mit

6

Tools to generate and study moment equations for any chemical reaction network using various moment closure approximations

moments gene-network moment-closure systems-biology moment-equations gillespie-algorithm stochastic-processes chemical-reaction-networks

Created 2021-02-14

238 commits to main branch, last one about a year ago

SBMLToolkit.jl SciML

11

41

mit

8

SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit

ode sbml julia sciml systems-biology gillespie-algorithm differential-equations chemical-reaction-networks quantitative-systems-pharmacology

Created 2021-06-16

520 commits to main branch, last one 3 months ago

care LopezGroup-ICIQ

8

26

mit

1

Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species and reaction properties with data-driven ML models and the netwo...

dft graph-neural-networks heterogeneous-catalysis atomistic-machine-learning chemical-reaction-networks

Created 2023-07-05

589 commits to main branch, last one 5 days ago