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LCMD EPFL
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guide4compchem-MU
guide4compchem-MU PublicFor current members and newcomer at compchem@MU group after you have completed Aj. Panida materials
Python 1
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ai4chem_project
ai4chem_project PublicA platform to train GNN models to learn IFLP-related properties
Python 1
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GoodVibes
GoodVibes PublicForked from patonlab/GoodVibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Python
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torchdrug
torchdrug PublicForked from DeepGraphLearning/torchdrug
A powerful and flexible machine learning platform for drug discovery
Python
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mikimo_p
mikimo_p PublicForked from lcmd-epfl/mikimo
A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.
Python
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e3_diffusion_for_molecules
e3_diffusion_for_molecules PublicForked from ehoogeboom/e3_diffusion_for_molecules
Python
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