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Here is the list of mocked packages... Noting these for ease of access, since we might want to separately update the ecosystem docs page to make sure we are linking to some of the key chem/bioinformatics toolkits.
'cudatoolkit',
'dask',
'dask-cuda',
'dask-jobqueue',# Deep Learning 'torch', # pytorch 'dgl', 'dgllife', 'pytorch_cluster', 'pytorch_geometric', 'pytorch_scatter', 'pytorch_sparse', 'mtenn', # Molecular dynamics/simulation 'openmm', 'openmmtools', 'openmmforcefields', 'mdtraj', 'mdanalysis', 'perses', 'pymol2', # Chemistry toolkits 'openeye', # openeye-toolkits 'pymol', # pymol-open-source 'rdkit', 'vina', 'plip', # Bioinformatics tools 'mafft', # ML tracking 'wandb',
Originally posted by @chrisiacovella in #122 (comment)
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