kinetics

Inflated i3d network with inception backbone, weights transfered from tensorflow

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

Python toolbox for biomechanics analysis

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

How to analyze molecular dynamics data with PyEMMA

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

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

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.

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

Ember: unsteady strained flame solver

Simple tool to download videos from kinetics dataset.

Computational Methods in Chemical Engineering (UMass Lowell, Spring 2022); Prof. Valmor F. de Almeida.

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

A Differentiable Reacting Flow Simulation Package in PyTorch

An Open-Source Python Package to Facilitate Research in Biomechanics

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

Automated reaction pathway search for gas-phase molecules

AutoTST: A framework to perform automated transition state theory calculations

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