v0.1.0 - Initial Release

[SantiagoMorandi]

This is the first public release of care-crn.

Features

• Automated generation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis for CHON reactions.
• Energy evaluator interfaces to GAME-Net-UQ and MLIPs: MACE, FAIRChem-v1, PETMAD, Orb-v2, and SevenNet.
• Mean-field microkinetic simulation solvers via Julia and SciPy.
• Tutorial notebooks for getting started.

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This discussion was created from the release v0.1.0 - Initial Release.