rafwiewiora

rafwiewiora's Repositories

• rafwiewiora/autoprotocol-python

  Python library for generating Autoprotocol

  Language:Python

• rafwiewiora/BetterMedTime

  A tool for optimizing when to take multiple drugs to reduce side effects

  Language:Python

• rafwiewiora/biopython

  Official git repository for Biopython (converted from CVS)

  Language:Python

• rafwiewiora/cardsReader

  CARDS-Reader: Methods to analyze CARDS data

• rafwiewiora/cbang

  C! (cbang) is a library of cross-platform C++ utilities.

  Language:C++

• rafwiewiora/cdk

  CDK2/CDK4 Folding@home simulations

• rafwiewiora/covid

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

• rafwiewiora/deeptime

  Deep learning meets molecular dynamics.

  Language:Python

• rafwiewiora/ensembler

  Software pipeline for automating omics-scale protein modeling and simulation setup.

  Language:Python

• rafwiewiora/enspara

  Modeling molecular ensembles with scalable data structures and parallel computing

  Language:Python

• rafwiewiora/erk_reconstruction

  ERK ancestral reconstruction

  Language:Jupyter Notebook

• rafwiewiora/FAHMunge

  Tools for Munging Folding@Home datasets

  Language:Python

• rafwiewiora/FFConv

  Amber --> OpenMM ffxml conversion

  Language:Python

• rafwiewiora/keras

  Deep Learning library for Python. Convnets, recurrent neural networks, and more. Runs on Theano and TensorFlow.

  Language:Python

• rafwiewiora/mdtraj

  A modern, open library for the analysis of molecular dynamics trajectories

  Language:Python

• rafwiewiora/MolProbity

  Protein and nucleic acid validation service

  Language:Perl

• rafwiewiora/MSM_play

• rafwiewiora/msmbuilder

  Statistical models for biomolecular dynamics

  Language:Python

• rafwiewiora/mta

  Scrape & analyze MTA arrival times

  Language:Python

• rafwiewiora/nglview

  IPython widget to interactively view molecular structures and trajectories

  Language:JavaScript

• rafwiewiora/notes

  For making notes and storing some asap code for my current work

  Language:Jupyter Notebook1

• rafwiewiora/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++

• rafwiewiora/openmmexampleplugin

  An example of how to write a plugin for OpenMM

  Language:C++

• rafwiewiora/openmoltools

  An open set of tools for automating tasks relating to small molecules

  Language:Python

• rafwiewiora/ParmEd

  Parameter/topology editor and molecular simulator

  Language:Python

• rafwiewiora/PyEMMA

  Emma's Markov Model Algorithms

  Language:Python

• rafwiewiora/pytraj

  Interactive data analysis for molecular dynamics simulations

  Language:Logos

• rafwiewiora/stuff

  Various useful scripts

  Language:Jupyter Notebook1

• rafwiewiora/tensorflow

  Computation using data flow graphs for scalable machine learning

  Language:C++

• rafwiewiora/tensorflow_play