Pinned Repositories
200217_simple_md
200315_adm_test
alphagmx
Combining GMX with alphafold
amber-ff-porting
Scratch space for porting amber FFs into SMIRNOFF format
Coursera-Algorithms
Programming Assignments (Algorithms, Part I and II by Kevin Wayne, Robert Sedgewick)
cphmd_ligand_param
create-your-own-adventure
Databank
NMRlipids databank
datasciencecoursera
datasharing
The Leek group guide to data sharing
pbuslaev's Repositories
pbuslaev/cphmd_ligand_param
pbuslaev/200217_simple_md
pbuslaev/200315_adm_test
pbuslaev/alphagmx
Combining GMX with alphafold
pbuslaev/amber-ff-porting
Scratch space for porting amber FFs into SMIRNOFF format
pbuslaev/Coursera-Algorithms
Programming Assignments (Algorithms, Part I and II by Kevin Wayne, Robert Sedgewick)
pbuslaev/create-your-own-adventure
pbuslaev/Databank
NMRlipids databank
pbuslaev/datasciencecoursera
pbuslaev/datasharing
The Leek group guide to data sharing
pbuslaev/dimorphite_dl
Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
pbuslaev/freud
Powerful, efficient particle trajectory analysis in scientific Python.
pbuslaev/MATCH
pbuslaev/mdtraj
An open library for the analysis of molecular dynamics trajectories
pbuslaev/NMRlipidsIVotherHGs
NMRlipids IV project
pbuslaev/NMRlipidsIVPEandPG
NMRlipids IV project, PE and PG lipids
pbuslaev/openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
pbuslaev/openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
pbuslaev/optimal-ph
pbuslaev/ownblockchain
pbuslaev/pbuslaev.github.io
:sparkles: Build a beautiful and simple website in literally minutes. Demo at http://deanattali.com/beautiful-jekyll
pbuslaev/pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
pbuslaev/prjEuler96
pbuslaev/recipes
pbuslaev/reflections
pbuslaev/ScAns
Structural Statistical Analysis
pbuslaev/scr
pbuslaev/snakemake-executor-plugin-cluster-generic
Generic cluster executor for Snakemake
pbuslaev/test_repo
pbuslaev/wedding
Our Wedding Website 👫