Brooks Group at the University of Michigan
This site represents software projects developed within and distributed by the research group of Charles L. Brooks III at the University of Michigan.
Pinned Repositories
crimm
DirectCouplingAnalysis_PottsModel_Tensorflow
A Tensorflow implementation of Direct Coupling Analysis using Potts model
FASTDock
FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
FastMBAR
A fast solver for large scale MBAR/UWHAM equations
ML-Matching
Machine Learning Approaching for Atom Typing.
msld-prep
A collection of python scripts and procedures to enable the building of ligands for Multi-site lambda Dynamics simulations using CHARMM/pyCHARMM
MSLD-Workshop
Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering
PEVAE_Paper
Deciphering protein evolution and fitness landscapes with latent space models
pyCHARMM-Workshop
pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.
seq_struct_func
Example scripts for navigating protein sequence structure function space.
Brooks Group at the University of Michigan's Repositories
BrooksResearchGroup-UM/pyCHARMM-Workshop
pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.
BrooksResearchGroup-UM/FastMBAR
A fast solver for large scale MBAR/UWHAM equations
BrooksResearchGroup-UM/PEVAE_Paper
Deciphering protein evolution and fitness landscapes with latent space models
BrooksResearchGroup-UM/FASTDock
FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
BrooksResearchGroup-UM/DirectCouplingAnalysis_PottsModel_Tensorflow
A Tensorflow implementation of Direct Coupling Analysis using Potts model
BrooksResearchGroup-UM/MSLD-Workshop
Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering
BrooksResearchGroup-UM/crimm
BrooksResearchGroup-UM/seq_struct_func
Example scripts for navigating protein sequence structure function space.
BrooksResearchGroup-UM/ML-Matching
Machine Learning Approaching for Atom Typing.
BrooksResearchGroup-UM/msld-prep
A collection of python scripts and procedures to enable the building of ligands for Multi-site lambda Dynamics simulations using CHARMM/pyCHARMM
BrooksResearchGroup-UM/ALF
Adaptive landscape flattening scripts for use with CHARMM/pyCHARMM Multi-site lambda dynamics
BrooksResearchGroup-UM/anc_acyl
BrooksResearchGroup-UM/Ancestral_AT_paper
BrooksResearchGroup-UM/BLaDE
BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics on graphical processor units.
BrooksResearchGroup-UM/CDOCKER