Repositories tagged with "chemical-kinetics"
chempy
bjodah
โโ A package useful for chemistry written in Pythonโ
dna-3d-engine
pallada-92
โ3d engine implementation in DNA code!โ
reaktoro
โa unified framework for modeling chemically reactive systemsโ
COPASI
copasi
โCOPASI is a software application for simulation and analysis of biochemical networks and their dynamics.โ
catmap
SUNCAT-Center
โCatalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screeningโ
CRNN
DENG-MIT
โChemical Reaction Neural Networkโ
CatKit
โGeneral purpose tools for high-throughput catalysisโ
overreact
geem-lab
โโ๏ธ๐ Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.โ
reactorch
โA Differentiable Reacting Flow Simulation Package in PyTorchโ