Name: Dhiman Ray
Type: User
Company: Istituto Italiano di Tecnologia
Bio: Post Doc: Atomistic Simulations, IIT Genoa, Italy. PhD: University of California Irvine, USA. BS. MS.: IISER Kolkata, India.
Twitter: DhimanRay16
Location: Genoa, Italy
Blog: https://sites.google.com/view/dhiman/home
Dhiman Ray's Projects
Official website for RECON - The R Epidemics CONsortium
Simulation code for the generalized Langevin equation
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
dissipation corrected targeted molecular dynamics
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
Time series distances: Dynamic Time Warping (fast DTW implementation in C)
Includes C++ code to run Markovian Langevin equations in units compatible with the dcTMD correction scripts available at www.moldyn.uni-freiburg.de/software/software.html. In addition, a jupyter notebook can be found which estimates the error of rates at 300 K from T-boosting calculations.
A python package for the extraction of memory kernels from time series
A sample repository from MolSSI bootcamp 2020
Markovian Weighted Ensemble Milestoning
Challenge details, inputs, and results for the SAMPL7 series of challenges
Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges