kinetics topic
DLKcat
Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction
GECKO
Toolbox for including enzyme constraints on a genome-scale model.
region-based-non-local-network
[Codes of paper]: Region-based Non-local operation for Video Classification
AutoTST
AutoTST: A framework to perform automated transition state theory calculations
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
msk-STAPLE
STAPLE (Shared Tools for Automatic Personalised Lower Extremity modelling) consists of a collection of methods for generating skeletal models from three-dimensional bone geometries, usually segmented...
laminarSMOKE
CFD solver (based on OpenFOAM) for laminar reacting flow with detailed kinetic mechanisms based on OpenSMOKE++
chen-3170
Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.
kinetics-downloader
Simple tool to download videos from kinetics dataset.