jp43

Computational biochemistry applied to drug-discovery

Cancer Research Center of LyonLyon

Pinned Repositories

ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language:Python353 16 13966
AchlysBackEnd
Software for hERG-related toxicity prediction
Language:Python0 1 12
DensityPlotMaker
Routines to plot 2D density plots
Language:Python0 1 03
DockBox
Python package to facilitate the use of popular docking software
Language:Python14 3 07
DockBox2
GNN model to improve binding mode and affinity predictions from docking
Language:Python10
DockBoxVS
Plug-in to perform Virtual Screening with DockBox
Language:Python20
LSDMap
Package to perform Locally-Scaled Diffusion Map
Language:Python2 8 53
MDKit
ToolBox to prepare MD simulations with Amber
Language:Python1 2 02

jp43's Repositories

jp43/DockBox
Python package to facilitate the use of popular docking software
Language:Python14 3 07
jp43/DockBoxVS
Plug-in to perform Virtual Screening with DockBox
Language:Python20
jp43/LSDMap
Package to perform Locally-Scaled Diffusion Map
Language:Python2 8 53
jp43/DockBox2
GNN model to improve binding mode and affinity predictions from docking
Language:Python10
jp43/MDKit
ToolBox to prepare MD simulations with Amber
Language:Python1 2 02
jp43/AchlysBackEnd
Software for hERG-related toxicity prediction
Language:Python0 1 12
jp43/DensityPlotMaker
Routines to plot 2D density plots
Language:Python0 1 03