darianyang
Biophysics Ph.D Candidate | University of Pittsburgh & Carnegie Mellon University
Pittsburgh, PA
Pinned Repositories
05Dec2020_UBMS_Workshop
BayesianBootstrap
calc_ca_pcs
capsid_angles
crystallin
Data analysis of crystallin MD simulation data
ff15ipq-lig
Scripts for ff15ipq ligand parameter derivation
fluorelax
Calculate relaxation rates of fluorinated biomolecules
ndpredict
NDPredict: ASN (N) Deamidation Predictor
wedap
Weighted Ensemble Data Analysis and Plotting
westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
darianyang's Repositories
darianyang/wedap
Weighted Ensemble Data Analysis and Plotting
darianyang/fluorelax
Calculate relaxation rates of fluorinated biomolecules
darianyang/ndpredict
NDPredict: ASN (N) Deamidation Predictor
darianyang/05Dec2020_UBMS_Workshop
darianyang/BayesianBootstrap
darianyang/calc_ca_pcs
darianyang/capsid_angles
darianyang/crystallin
Data analysis of crystallin MD simulation data
darianyang/ff15ipq-lig
Scripts for ff15ipq ligand parameter derivation
darianyang/westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
darianyang/darianyang
darianyang/darianyang.github.io
My personal website.
darianyang/eg5
darianyang/ff15ipq-19F
Scripts and files associated with 19F ff15ipq parameter derivation and validation.
darianyang/gamd-plot
Additional plotting options for reweighted GaMD simulation data.
darianyang/gb1-pcs
darianyang/KIF
KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
darianyang/lab
darianyang/misc_we
misc we scripts
darianyang/msm_we
History-augmented Markov analysis of weighted ensemble trajectories.
darianyang/nmr
darianyang/paramagpy
Calculating paramagnetic NMR effects in proteins
darianyang/rkif
darianyang/sasa-spike
darianyang/traj-plot
Plotting of cpptraj output data.
darianyang/weer
Weighted Ensemble with Ensemble Refinement
darianyang/wekap
weighted ensemble kinetics analysis and plotting
darianyang/wepr
WE + EPR Project with LBP
darianyang/wetree
resampling tree visualization for westpa h5 files
darianyang/wevo
Testing of a WESTPA based REVO implementation