dhimanray

Post Doc: Atomistic Simulations, IIT Genoa, Italy. PhD: University of California Irvine, USA. BS. MS.: IISER Kolkata, India.

University of OregonEugene OR USA

Pinned Repositories

andricioaeigroup.github.io
Official website for RECON - The R Epidemics CONsortium
Language:HTML00
DTW_Path_Classification
Language:Python6 2 00
Enzyme_Kinetics_OPES_flooding
Language:Python4 1 00
HLDA-Metadynamics-HSP90
Language:Jupyter Notebook1 1 00
Install_guide_Plumed_with_Pytorch_Gromacs
10
MWEM
Markovian Weighted Ensemble Milestoning
Language:Python3 1 00
OPES-Flooding
Language:Jupyter Notebook3 1 01
PLUMED-WESTPA
Language:Shell11
TPI_deepTDA
Language:Jupyter Notebook2 1 02
Weighted-Ensemble-Milestoning
Language:Jupyter Notebook23

dhimanray's Repositories

dhimanray/DTW_Path_Classification
Language:Python6 2 00
dhimanray/Enzyme_Kinetics_OPES_flooding
Language:Python4 1 00
dhimanray/MWEM
Markovian Weighted Ensemble Milestoning
Language:Python3 1 00
dhimanray/OPES-Flooding
Language:Jupyter Notebook3 1 01
dhimanray/TPI_deepTDA
Language:Jupyter Notebook2 1 02
dhimanray/Weighted-Ensemble-Milestoning
Language:Jupyter Notebook23
dhimanray/HLDA-Metadynamics-HSP90
Language:Jupyter Notebook1 1 00
dhimanray/Install_guide_Plumed_with_Pytorch_Gromacs
10
dhimanray/OPES_and_OPES-EXPLORE
Language:Python1
dhimanray/PLUMED-WESTPA
Language:Shell11
dhimanray/covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
Language:HTML00
dhimanray/COVID-19-correlation-work
Language:Jupyter Notebook0 1 00
dhimanray/COVID-variant-antibody
Language:Jupyter Notebook0 1 01
dhimanray/DNA-HG-FF
Language:Jupyter Notebook
dhimanray/DNA-RNA-Hoogsteen-meta-eABF-and-MSM
Language:Jupyter Notebook1 01
dhimanray/dtaidistance
Time series distances: Dynamic Time Warping (fast DTW implementation in C)
Language:Python0 0
dhimanray/Enhanced_Sampling_Path_Sampling
Language:Jupyter Notebook
dhimanray/Machine_Learning_for_Chemistry
Language:Jupyter Notebook
dhimanray/miscellaneous
Language:Tcl
dhimanray/molecool
A sample repository from MolSSI bootcamp 2020
Language:Python1 0
dhimanray/periodic-table
Language:JavaScript
dhimanray/plumed_pytorch_tutorial
Language:Jupyter Notebook
dhimanray/SAMPL7
Challenge details, inputs, and results for the SAMPL7 series of challenges
Language:Python0 0
dhimanray/SAMPL8
Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
Language:Python0 0
dhimanray/testgit-new
1 0
dhimanray/Umbrella_Sampling_Tutorial
Language:Python
dhimanray/user_submitted_scripts
Example scripts for WESTPA submitted by users
1
dhimanray/WEM
Language:Python
dhimanray/WEM-Ligand
Language:Jupyter Notebook1
dhimanray/WEMRR
Language:Python1 0