Physical Chemistry Fun for Python!
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Updated
May 26, 2024 - Python
Physical Chemistry Fun for Python!
Automated reaction pathway search for gas-phase molecules
Biological prior guided RNA kinetics inference
This repository contains scripts to test the performance of different path optimization appraches to compute transition states and the minimum energy paths.
C and Python interface for the OpenSMOKE++ library
Toolbox for including enzyme constraints on a genome-scale model.
Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.
Python version of the amazing Reaction Mechanism Generator (RMG).
An Open-Source Python Package to Facilitate Research in Biomechanics
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/
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).
COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.
Newtonian mechanics model for C. elegans locomotion
R package for fitting kinetic models with one or more state variables to chemical degradation data
Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding
The open source initiative for anonymized, elite-level athletic motion capture data. Run by Driveline Baseball.
Simple tools for obtaining time from biased molecular dynamics simulations
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