Bigginlab
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      ABFE_workflow
ABFE_workflow PublicThis is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
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      WaterDock_pymol
WaterDock_pymol Publicpymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
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      aescore
aescore PublicForked from RMeli/aescore
Learning Protein-Ligand Properties with Atomic Environment Vectors
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      Macroconf
Macroconf PublicForked from D-Cru/Macroconf
MacroConf Dataset & Workflows to Assess Cyclic Peptide Solution Structures
Jupyter Notebook 6
 
Repositories
-           ABFE_workflow Public
This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
bigginlab/ABFE_workflow’s past year of commit activity  -           PoreAnalyser Public Forked from DSeiferth/PoreAnalyser
PoreAnalyser is package written by @DSeiferth that expands HOLE results to consider asymmetry and estimate conductance
bigginlab/PoreAnalyser’s past year of commit activity  -           bee_alpha5 Public Forked from francoviscarra/bee_alpha5
Simulation data for "Characterization of a novel nicotinic acetylcholine receptor subtype preferentially sensitive to biogenic amines"
bigginlab/bee_alpha5’s past year of commit activity  -           aescore Public Forked from RMeli/aescore
Learning Protein-Ligand Properties with Atomic Environment Vectors
bigginlab/aescore’s past year of commit activity  -           WaterDock_pymol Public
pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
bigginlab/WaterDock_pymol’s past year of commit activity  
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