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- Q-stack Public
Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
lcmd-epfl/Q-stack’s past year of commit activity - cell2mol Public
lcmd-epfl/cell2mol’s past year of commit activity - mikimo Public
A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.
lcmd-epfl/mikimo’s past year of commit activity - EquiReact Public
Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geometric Deep Learning for Chemical Reactions", J. Chem. Inf. Model. 2024, 64, 5771−5785
lcmd-epfl/EquiReact’s past year of commit activity - ml-density Public
lcmd-epfl/ml-density’s past year of commit activity - marc Public
A tool to select a subset of most representative conformers from a large conformational ensemble.
lcmd-epfl/marc’s past year of commit activity
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