Updated 10 months ago
Catalyst
Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software.
Updated 10 months ago
reaction-network
Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (formerly at Berkeley Lab).
Updated 10 months ago
https://github.com/biosimulators/biosimulators_masspy
MASSpy mathematical simulation program via BioSimulators-compliant command-line interface and Docker container