Digital chemist, mostly speaks python.
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LCMD EPFL
- https://rlaplaza.github.io/
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lcmd-epfl/Q-stack
lcmd-epfl/Q-stack PublicStack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
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lcmd-epfl/volcanic
lcmd-epfl/volcanic PublicA program to automatically generate volcano plots for catalysis.
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lcmd-epfl/mikimo
lcmd-epfl/mikimo PublicA program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.
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