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Chemical Reaction Networks Python Packages

Python packages with the GitHub topic chemical-reaction-networks. Sorted by relevance, with stars and monthly downloads.
LopezGroup-ICIQ
care-crn

Automated creation and manipulation of chemical reaction networks (CRNs) in heterogeneous catalysis, powered by state-of-the-art ML evaluators and Julia-solvers for microkinetic modelling.

923 87 14
biocircuits
bioscrape

BioSCRAPE (Bio-circuit Stochastic Single-cell Reaction Analysis and Parameter Estimation)

856 30 19
SUNCAT-Center
catkit

General purpose tools for high-throughput catalysis

845 104 60
MarcusAichmayr
sign-vector-conditions

SageMath package for (chemical) reaction networks using sign vector conditions

733 2 1
ROBACON
mobspy

The Meta-Species Oriented Biosystem Syntax in Python (MobsPy) was invented to facilitate the design of complex Chemical Reaction Networks

591 25 3
robinhenry
crn-jax

Chemical reaction networks in JAX: GPU-parallel stochastic simulations.

446 1 0
MarcusAichmayr
sign-crn

SageMath package for (chemical) reaction networks using sign vector conditions

419 2 1
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