Adsorption Isotherm and Kinetics Emulation with Lattice Gas Cellular Automata
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Updated
Apr 28, 2014
Adsorption Isotherm and Kinetics Emulation with Lattice Gas Cellular Automata
Extracting kinetics from replica exchange molecular dynamics and related methods that produce discontinuous trajectories.
3D Perception project for the Robotics Nanodegree Program
Temporal 3D ConvNet
Numerical framework for reacting systems with detailed kinetic mechanisms
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
Code for analysis of single cell signaling network kinetics from flow cytometry (CyTOF) datasets
Implementation of I3D in PyTorch altered for EDR experiments
New implementation of TS-PPTIS working with Gromacs 5.X and Plumed 2.X
Estimation of rate constant parameters for the acid/base attack of aspirin. Post-graduate work for Dr. Desmond Williams at University of South Australia.
A repository to hold a nuclear simulator game and associated cool stuff.
How to analyze molecular dynamics data with PyEMMA
Simple tool to download videos from kinetics dataset.
Computational Experiments in Materials Science. Diffusion in Solids
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 i…
ThermoGravimetric Analysis (TGA) helps in understanding and optimising pyrolysis process.
Collection of scripts for enhancing humanGEM based models with kinetic and proteomics constraints and specialized simulation utilities.
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