Python version of the amazing Reaction Mechanism Generator (RMG).
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Updated
May 10, 2024 - Python
Python version of the amazing Reaction Mechanism Generator (RMG).
Inflated i3d network with inception backbone, weights transfered from tensorflow
Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction
Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.
The open source initiative for anonymized, elite-level athletic motion capture data. Run by Driveline Baseball.
Toolbox for including enzyme constraints on a genome-scale model.
How to analyze molecular dynamics data with PyEMMA
A Differentiable Reacting Flow Simulation Package in PyTorch
Python toolbox for biomechanics analysis
COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.
Official Cantera Website
CFD solver (based on OpenFOAM) for laminar reacting flow with detailed kinetic mechanisms based on OpenSMOKE++
AutoTST: A framework to perform automated transition state theory calculations
Automated reaction pathway search for gas-phase molecules
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.
Simple tool to download videos from kinetics dataset.
An Open-Source Python Package to Facilitate Research in Biomechanics
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