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Company:Cancer Research Center of Lyon
Location:Lyon
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Python package to facilitate the use of popular docking software
Plug-in to perform Virtual Screening with DockBox
Package to perform Locally-Scaled Diffusion Map
GNN model to improve binding mode and affinity predictions from docking
ToolBox to prepare MD simulations with Amber
Software for hERG-related toxicity prediction
Routines to plot 2D density plots