GitHub topics: kinetics

Repositories

kineticstoolkit/kineticstoolkit

An Open-Source Python Package to Facilitate Research in Biomechanics

Language: Python - Size: 226 MB - Last synced at: 1 day ago - Pushed at: about 2 months ago - Stars: 102 - Forks: 12

pyomeca/pyomeca

Python toolbox for biomechanics analysis

Language: Jupyter Notebook - Size: 13.1 MB - Last synced at: 1 day ago - Pushed at: 3 months ago - Stars: 131 - Forks: 33

mohsensadr/collisional_ot

C/NumPy/PyTorch implementation of collision-based dynamics for optimal transport problem

Language: Python - Size: 16.7 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).

Language: Python - Size: 180 MB - Last synced at: about 14 hours ago - Pushed at: 11 days ago - Stars: 469 - Forks: 245

sinagilassi/PyReactLab

Analyze reactions and evaluate thermodynamic feasibility.

Language: Python - Size: 3.97 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 1 - Forks: 0

merzbild/Merzbild.jl

The Merzbild Variable-Weight DSMC/FP code

Language: Julia - Size: 2.82 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 7 - Forks: 1

The-Modelling-Club/matlab-scripts

This repository contains matlab scripts written by the members of The Modelling Club

Language: MATLAB - Size: 8.79 KB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 1 - Forks: 0

🌈 chromhandler is a Python package designed to streamline the processing and analysis of chromatographic data, enabling efficient metadata enrichment and conversion to EnzymeML format for further analysis.

Language: Python - Size: 29.9 MB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 5 - Forks: 0

LIKAT-Rostock/kcnode-paper

Kinetics-Constrained Neural Ordinary Differential Equations (KCNODE) that can be trained even with small data

Language: Jupyter Notebook - Size: 288 KB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 7 - Forks: 0

copasi/COPASI

COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.

Language: C++ - Size: 108 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 113 - Forks: 34

SysBioChalmers/GECKO

Toolbox for including enzyme constraints on a genome-scale model.

Language: MATLAB - Size: 107 MB - Last synced at: 5 days ago - Pushed at: 4 months ago - Stars: 77 - Forks: 52

Cantera/cantera-website

Official Cantera Website

Language: CSS - Size: 61.8 MB - Last synced at: 13 days ago - Pushed at: 22 days ago - Stars: 17 - Forks: 27

zadorlab/KinBot

Automated reaction pathway search for gas-phase molecules

Language: Python - Size: 4.16 MB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 57 - Forks: 21

osvalB/pykingenie

Python package to analyse binding kinetics data with simple models

Language: Python - Size: 19 MB - Last synced at: 25 days ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 0

IgnacioNAV/kinetics-analyzer

Python app for visualizing and analyzing enzyme kinetics, designed for data recorded with AvaSpec spectrometers.

Language: Python - Size: 1.08 MB - Last synced at: 27 days ago - Pushed at: 27 days ago - Stars: 0 - Forks: 0

openscilab/drux

Drug Release Analysis Framework

Language: Python - Size: 112 KB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 9 - Forks: 1

TCKDB/TCKDB

Theoretical Chemical Kinetics Database

Language: Python - Size: 8.09 MB - Last synced at: 29 days ago - Pushed at: 29 days ago - Stars: 3 - Forks: 2

gemshub/xgems

This is a numerical solver of chemical equilibria for thermodynamic modelling, extended (relative to GEMS3K code) with new [C++ and Python APIs]

Language: C++ - Size: 35.7 MB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 0 - Forks: 0

PPeitsch/pkynetics

A Python library for thermal analysis and reaction kinetics. Supports DSC, TGA, and dilatometry with tools for model-fitting (JMAK, Kissinger), model-free (Friedman, KAS, OFW) analysis, data processing, and visualization.

Language: Python - Size: 3.28 MB - Last synced at: 19 days ago - Pushed at: about 1 month ago - Stars: 2 - Forks: 0

SysBioChalmers/DLKcat

Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction

Language: Python - Size: 46.2 MB - Last synced at: about 1 month ago - Pushed at: about 2 years ago - Stars: 168 - Forks: 57

Becksteinlab/kda

Python package used for the analysis of biochemical kinetic diagrams.

Language: Python - Size: 6.27 MB - Last synced at: 1 day ago - Pushed at: about 2 months ago - Stars: 5 - Forks: 1

AccelStab/AccelStab

This package utilises the Šesták–Berggren equation alongside the Arrhenius equation to make a simple and consistent way for a user to carry out the calculations and predictions required by accelerated stability studies.

Language: R - Size: 2.64 MB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 3 - Forks: 0

modenaxe/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 from medical images. The methods are currently being expanded to create complete musculoskeletal models.

Language: MATLAB - Size: 139 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 61 - Forks: 18

kghaby/GeKiM

GeKiM (Generalized Kinetic Modeler) is a framework for creating, modeling, and interpreting arbitrary kinetic schemes. Bespoke models are included.

Language: Python - Size: 275 KB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0

ReactionMechanismGenerator/ReactionMechanismSimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

Language: Jupyter Notebook - Size: 7.66 MB - Last synced at: 29 days ago - Pushed at: about 1 month ago - Stars: 80 - Forks: 36

ivanZanardi/ronek

Reduced Order modeling for Non-Equilibrium Kinetics

Language: Python - Size: 18.1 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0

drivelineresearch/openbiomechanics

The open source initiative for anonymized, elite-level athletic motion capture data. Run by Driveline Baseball.

Language: Jupyter Notebook - Size: 2.09 GB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 258 - Forks: 69

DENG-MIT/reactorch

A Differentiable Reacting Flow Simulation Package in PyTorch

Language: Python - Size: 937 KB - Last synced at: about 2 months ago - Pushed at: almost 4 years ago - Stars: 52 - Forks: 30

dd-hebert/uv_pro

Command line tool for parsing and processing UV-Vis data from the Agilent 845x Chemstation software.

Language: Python - Size: 5.05 MB - Last synced at: 30 days ago - Pushed at: 30 days ago - Stars: 2 - Forks: 1

alan-tabore/KinOpt

The aim of the KinOpt project is to use kinetics data to perform isoconversional analysis and model optimization.

Language: Python - Size: 5.28 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0

TaegonChung/elegansbot

Newtonian mechanics model for C. elegans locomotion

Language: Python - Size: 2.42 MB - Last synced at: 13 days ago - Pushed at: 3 months ago - Stars: 2 - Forks: 1

NotAMadTheorist/Data-Analysis-for-Kinetics-of-Mushroom-Tyrosinase

This is a program I used for analyzing absorbance-time data on the kinetics of mushroom tyrosinase. It uses exponential models to estimate reaction rate, the Lineweaver-Burk plot to estimate VMax and KM, and t-test for identifying effect of p-HBA and vinegar on reaction rate. This program was used for Experiment #4 of CHEM 151.02 LAB.

Language: Python - Size: 16.6 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0

markovmodel/pyemma_tutorials

How to analyze molecular dynamics data with PyEMMA

Language: Jupyter Notebook - Size: 16 MB - Last synced at: 23 days ago - Pushed at: over 6 years ago - Stars: 76 - Forks: 35

valsson-group/time-from-biased-simulations-tools

Simple tools for obtaining time from biased molecular dynamics simulations

Language: Python - Size: 10.6 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 5 - Forks: 4

edocipriano/OpenSMOKEppInterface

C and Python interface for the OpenSMOKE++ library

Language: C++ - Size: 6.88 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 1 - Forks: 1

chicolucio/ReversibleFirstOrder

Plots for reversible first order reactions

Language: Jupyter Notebook - Size: 3.04 MB - Last synced at: 3 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

jranke/mkin

R package for fitting kinetic models with one or more state variables to chemical degradation data

Language: HTML - Size: 192 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 11 - Forks: 4

SysBioChalmers/ecModels

A container for all enzyme constrained models created by GECKO.

Language: MATLAB - Size: 94.7 MB - Last synced at: about 1 month ago - Pushed at: about 3 years ago - Stars: 13 - Forks: 6

ginkgobioworks/geckopy

Enzyme-constrained genome-scale models in python

Language: Python - Size: 4.84 MB - Last synced at: about 2 months ago - Pushed at: almost 2 years ago - Stars: 28 - Forks: 7

HugoMVale/PRE-Notebooks

Notebooks for Polymer Reaction Engineering lectures.

Language: Jupyter Notebook - Size: 38.6 MB - Last synced at: 1 day ago - Pushed at: 4 months ago - Stars: 7 - Forks: 0

arcticmartian/kinetic-graph

Modeled reactant and product concentration vs time plot

Language: Jupyter Notebook - Size: 418 KB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

acuoci/OpenSMOKE

Numerical framework for reacting systems with detailed kinetic mechanisms

Language: C++ - Size: 4.04 MB - Last synced at: 4 months ago - Pushed at: over 7 years ago - Stars: 20 - Forks: 6

ReactionMechanismGenerator/T3

The Tandem Tool (T3) for automated chemical kinetic model development

Language: Python - Size: 15.4 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 14 - Forks: 6

EmanuelSommer/ShinyFOSR

Predicting normative walking biomechanics across the lifespan using seven simple features

Language: R - Size: 31.9 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0

langevinmodel/folie

Finding Optimal Langevin Inferred Equations

Language: Python - Size: 30.3 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 5 - Forks: 1

BirkFritsch/Radiolysis-simulations

AuRaCh - Automated Radiation Chemistry Simulations

Language: Python - Size: 4.22 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 10 - Forks: 2

QUVA-Lab/SIGMA

Language: Python - Size: 8.98 MB - Last synced at: 5 months ago - Pushed at: 8 months ago - Stars: 16 - Forks: 0

esther-poniatowski/ubc-synapse

Modeling signal filtering in the synapse between Mossy Fibers and Unipolar Brush Cells

Language: Jupyter Notebook - Size: 1.76 MB - Last synced at: 5 months ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0

wigging/kinetic-schemes

Kinetic reaction schemes for biomass pyrolysis

Language: Python - Size: 8.74 MB - Last synced at: 5 months ago - Pushed at: almost 4 years ago - Stars: 4 - Forks: 3

jonathanschultzNU/Redox-chain-efficiency

This code package simulates the time evolution of a multi-site electron transfer chain, with quantum yield, energy efficiency, and rate matrices as key outputs. The simulation models the rates and population dynamics of multi-step hopping with inter-cofactor separations and driving forces (ΔG) as input parameters.

Language: MATLAB - Size: 32.2 KB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0

TimVWese/NetworkJumpProcesses.jl

Julia package to facilitate the construction of JumpProblems on graphs.

Language: Julia - Size: 436 KB - Last synced at: 3 months ago - Pushed at: 7 months ago - Stars: 3 - Forks: 0

SysBioChalmers/EnzymeConstrained_humanModels

Collection of scripts for enhancing humanGEM based models with kinetic and proteomics constraints and specialized simulation utilities.

Language: MATLAB - Size: 464 MB - Last synced at: 20 days ago - Pushed at: over 5 years ago - Stars: 2 - Forks: 0

poseidonchan/scRNAkinetics

Biological prior guided RNA kinetics inference

Language: Jupyter Notebook - Size: 13.1 MB - Last synced at: 19 days ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 0

zaid-24/Chemical-Material

Compilation of material for chemical engineering IIT KGP

Size: 61.7 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 2 - Forks: 0

ReactionMechanismGenerator/AutoTST

AutoTST: A framework to perform automated transition state theory calculations

Language: Python - Size: 11.8 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 31 - Forks: 16

marija-iloska/pmcmc_CO_Pd

We propose a particle MCMC sampler to learn the kinetic parameters of a chemical system, specifically the adsorption and desorption of CO on Pd(111).

Language: MATLAB - Size: 1.4 GB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 1 - Forks: 0

lukereichold/VisualActionKit

Human action classification for video, offline and natively on iOS via Core ML

Language: Swift - Size: 51.2 MB - Last synced at: 5 days ago - Pushed at: about 5 years ago - Stars: 24 - Forks: 4

ndarras/CGAS_Manager

A freeware application to store, process, and present Gait Analysis data.

Language: Python - Size: 9.56 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

philippeloe/moser

Physical Chemistry Fun for Python!

Language: Python - Size: 18 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

kumaranu/mep_tests

This repository contains scripts to test the performance of different path optimization appraches to compute transition states and the minimum energy paths.

Language: Python - Size: 17.4 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

bryanwweber/cantera-website Fork of Cantera/cantera-website

Official Cantera Website

Language: Python - Size: 61.6 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0

pub-calculator-io/kinetic-energy-calculator

Free WordPress Plugin: Kinetic energy calculator easily finds kinetic energy, mass or velocity with the kinetic energy formula KE = 1/2 mv². Easy to use KE calculator. www.calculator.io/kinetic-energy-calculator/

Language: JavaScript - Size: 10.5 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 0

dweth/mcsnac

Code for analysis of single cell signaling network kinetics from flow cytometry (CyTOF) datasets

Language: Fortran - Size: 183 KB - Last synced at: over 1 year ago - Pushed at: over 7 years ago - Stars: 1 - Forks: 0

acuoci/laminarSMOKE

CFD solver (based on OpenFOAM) for laminar reacting flow with detailed kinetic mechanisms based on OpenSMOKE++

Language: C++ - Size: 1.56 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 37 - Forks: 24

hanford/react-flick-list

react bindings for kinetic scrolling

Language: JavaScript - Size: 10 MB - Last synced at: 14 days ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 1

ydu-sci/Binding_Curve_Viewer

Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding

Language: Python - Size: 99.6 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

dpploy/chen-3170

Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.

Language: Jupyter Notebook - Size: 269 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 38 - Forks: 44

hassony2/kinetics_i3d_pytorch

Inflated i3d network with inception backbone, weights transfered from tensorflow

Language: Python - Size: 268 MB - Last synced at: over 1 year ago - Pushed at: almost 5 years ago - Stars: 513 - Forks: 113

zenetio/RoboND-Perception-Project Fork of udacity/RoboND-Perception-Project

3D Perception project for the Robotics Nanodegree Program

Language: C++ - Size: 15.8 MB - Last synced at: over 1 year ago - Pushed at: over 7 years ago - Stars: 1 - Forks: 2

AndreyBezrukov/SKID

Rapid determination of experimental sorption isotherms from non-equilibrium sorption kinetics

Language: Jupyter Notebook - Size: 53.3 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

sustainable-processes/protodeboronation-prediction

Algorithmic prediction of protodeboronation rate with pH (published!)

Language: Jupyter Notebook - Size: 28.4 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 0

lkampoli/ML4STS

Machine learning for state-to-state

Language: Fortran - Size: 1.64 GB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 3 - Forks: 0

speth/ember

Ember: unsteady strained flame solver

Language: C++ - Size: 2.1 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 40 - Forks: 22

rimchang/kinetics-i3d-Pytorch

Language: Python - Size: 436 MB - Last synced at: over 1 year ago - Pushed at: about 7 years ago - Stars: 64 - Forks: 18

bruscalia/styrene

A Python package for styrene reactor simulation

Language: Python - Size: 91.5 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 2

BoyangMichael/MACDILMECH

Kinetic mechanisms for the oxidation of toluene reference fuel with ethanol addition (TRFE). Funded by the ANR project MACDIL.

Language: Roff - Size: 615 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

marina8888/chemkin-sensitivity-analysis

Filter and plot sensitivity data from CHEMKIN sensitivity spreadsheets

Language: Python - Size: 17.1 MB - Last synced at: over 1 year ago - Pushed at: about 3 years ago - Stars: 3 - Forks: 0

tengjuilin/video-notes

Notes and slides created for video of STEM concept walkthroughs. Topics include surface and colloid science, chemical reaction engineering, process dynamics and control, and process design.

Language: HTML - Size: 84.1 MB - Last synced at: over 1 year ago - Pushed at: about 2 years ago - Stars: 1 - Forks: 1

mlempp/Metabolite_TF_interaction_Ecoli

Cellular metabolism controls gene expression through allosteric interactions between metabolites and transcription factors. Methods to detect these regulatory interactions are mostly based on in vitro binding assays, but there are no methods to identify them at a genome-scale in vivo. Here we show that dynamic transcriptome and metabolome data identify metabolites that are potential effectors of transcription factors in E. coli. By switching the culture conditions between starvation and growth for 20 hours, we induced strong metabolite concentration changes and accompanying gene expression changes, which were measured by LC-MS/MS and RNA sequencing. From the transcriptome data we calculated the activity of 209 transcriptional regulators with Network Component Analysis, and then tested which metabolites correlated with these activities. This approach captured, for instance, the in vivo Hill-kinetics of CRP regulation by cyclic-AMP, a canonical example of allosteric transcription factor regulation in E. coli. By testing correlations between all pairs of transcription factors and metabolites, we predicted putative effectors of 71 transcription factors, and validated five of them in vitro. These results show that the combination of transcriptomics and metabolomics can generate hypotheses about metabolism-transcription interactions that are relevant in vivo and drive transitions between physiological states.

Language: MATLAB - Size: 6.84 KB - Last synced at: almost 2 years ago - Pushed at: almost 6 years ago - Stars: 0 - Forks: 0

mayankskii/TGAnalysis

ThermoGravimetric Analysis (TGA) helps in understanding and optimising pyrolysis process.

Language: MATLAB - Size: 42.4 MB - Last synced at: almost 2 years ago - Pushed at: almost 6 years ago - Stars: 4 - Forks: 4

russellllaputa/region-based-non-local-network

[Codes of paper]: Region-based Non-local operation for Video Classification

Language: Python - Size: 4.27 MB - Last synced at: almost 2 years ago - Pushed at: almost 4 years ago - Stars: 19 - Forks: 3

PiotrTymoszuk/hyposmia_analysis_pipeline

The complete analysis pipeline for the hyposmia project by Health After COVID-19 in Tyrol Study Team

Language: TeX - Size: 75.3 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

smittal6/i3d

Implementation of I3D in PyTorch altered for EDR experiments

Language: Python - Size: 44.2 MB - Last synced at: about 2 years ago - Pushed at: about 7 years ago - Stars: 1 - Forks: 1

bio-phys/PyDHAMed

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

Language: Jupyter Notebook - Size: 3.36 MB - Last synced at: over 1 year ago - Pushed at: over 7 years ago - Stars: 19 - Forks: 7

arfc/nukesims

A repository to hold a nuclear simulator game and associated cool stuff.

Size: 1.95 KB - Last synced at: about 2 years ago - Pushed at: over 6 years ago - Stars: 3 - Forks: 1

daviddesancho/smFSmodels

Language: Jupyter Notebook - Size: 6.4 MB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1

Andrew-S-Rosen/MKMlab 📦

MATLAB program for microkinetic modeling in catalysis

Language: MATLAB - Size: 43 KB - Last synced at: almost 2 years ago - Pushed at: almost 5 years ago - Stars: 4 - Forks: 4

Related Keywords

kinetics 113 python 19 chemistry 14 simulation 8 kinematics 8 thermodynamics 8 reactions 8 science 6 combustion 6 systems-biology 5 chemical-engineering 5 molecular-dynamics 4 reaction 4 matlab 4 pytorch 4 scipy 4 chemical-kinetics 4 biomechanics 4 enzyme-constraints 4 engineering 3 reaction-engineering 3 action-recognition 3 covid-19 3 analysis 3 video-classification 3 simulator 3 video 3 dynamics 3 md-simulations 3 database 2 single-cell 2 thermodynamic-properties 2 chemical-reaction-engineering 2 pyrolysis 2 single-cell-analysis 2 flames 2 jupyter-notebook 2 equilibrium 2 quantum-chemistry 2 tensorflow 2 kinetics-datasets 2 3d 2 computational-biology 2 filtering 2 modelling 2 isotherms 2 graph 2 signal-processing 2 deep-learning 2 tga 2 non-equilibrium 2 downloader 2 numpy 2 i3d 2 3d-convolutional-network 2 isoconversional 2 graphs 2 dsc 2 julia 2 sorption 2 regression 2 sensitivity-analysis 2 cfd 2 opensmokepp 2 mechanics 2 fluid-dynamics 2 physical-chemistry 2 kinetic-modeling 2 thermogravimetry 2 chemical 2 thermodynamics-models 2 metadynamics 2 catalysis 2 spectroscopy 2 robotics 2 biochemistry 2 automation 2 3d-cnn 2 transport 2 static-site 2 nikola 2 cantera 2 toolbox 2 proteomics 2 data-integration 2 genome-scale-models 2 lecture 1 math 1 vapor 1 high-throughput-experimentation 1 colloid 1 gui 1 notes 1 gas 1 water 1 hydrocarbons 1 process-design 1 process-control 1 transport-properties 1 state-to-state 1