Bigginlab
- 23 followers
- University of Oxford
- http://bigginlab.web.ox.ac.uk
- @philbiggin
- philip.biggin@bioch.ox.ac.uk
Popular repositories
-
-
ABFE_workflow
ABFE_workflow PublicThis is a snakelike based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
-
WaterDock_pymol
WaterDock_pymol Publicpymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
-
aescore
aescore PublicForked from RMeli/aescore
Learning Protein-Ligand Properties with Atomic Environment Vectors
-
fragment-opt-abfe-benchmark
fragment-opt-abfe-benchmark PublicForked from IAlibay/fragment-opt-abfe-benchmark
Benchmark set for absolute binding free energy calculations of fragment optimisations
Repositories
- ABFE_workflow Public
This is a snakelike based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
-
- PoreAnalyser Public Forked from DSeiferth/PoreAnalyser
PoreAnalyser is package written by @DSeiferth that expands HOLE results to consider asymmetry and estimate conductance
- WaterDock_pymol Public
pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)
-
-