Git Product home page Git Product logo

Dhiman Ray's Projects

bgle icon bgle

Simulation code for the generalized Langevin equation

covid icon covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

dctmd icon dctmd

dissipation corrected targeted molecular dynamics

drug-computing icon drug-computing

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

dtaidistance icon dtaidistance

Time series distances: Dynamic Time Warping (fast DTW implementation in C)

langevin_t_boost icon langevin_t_boost

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.

memtools icon memtools

A python package for the extraction of memory kernels from time series

molecool icon molecool

A sample repository from MolSSI bootcamp 2020

mwem icon mwem

Markovian Weighted Ensemble Milestoning

sampl7 icon sampl7

Challenge details, inputs, and results for the SAMPL7 series of challenges

sampl8 icon sampl8

Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.