Pinned Repositories
correlation_metrics
kinase_metadynamics
Sequence agnostic CVs for enhancing kinase simulations.
kinase_msm
set of scripts to analyze kinases
msmbuilder
sklearn-compatible mixture and hidden Markov models
SML_CV
Using supervised machine learning to build collective variables for accelerated sampling
tf_metadynamics
Using neural networks for enhanced sampling in computational biophysics
tica_metadynamics
Efficient sampling of protein mutants via transfer learning from the wild-type simulation
tica_metadynamics_paper_1
Accelerating MD and MSM by running Metadynamics along tICA coordinates
vde-1
Variational Autoencoder for Dimensionality Reduction of Time-Series
vde_metadynamics
Enhanced protein mutational sampling using time-lagged variational autoencoders
msultan's Repositories
msultan/SML_CV
Using supervised machine learning to build collective variables for accelerated sampling
msultan/tf_metadynamics
Using neural networks for enhanced sampling in computational biophysics
msultan/tica_metadynamics
Efficient sampling of protein mutants via transfer learning from the wild-type simulation
msultan/kinase_msm
set of scripts to analyze kinases
msultan/vde-1
Variational Autoencoder for Dimensionality Reduction of Time-Series
msultan/kinase_metadynamics
Sequence agnostic CVs for enhancing kinase simulations.
msultan/cs231n_assignments
msultan/Deep-Learning-Papers-Reading-Roadmap
Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!
msultan/PyTorch-Tutorial
Build your neural network easy and fast
msultan/msmbuilder
sklearn-compatible mixture and hidden Markov models
msultan/accelerated_sampling_with_autoencoder
Accelerated sampling framework with autoencoder-based method
msultan/algorithms
Minimal examples of data structures and algorithms in Python
msultan/conda-recipes
conda build recipes for the Omnia project
msultan/cs231n.github.io
Public facing notes page
msultan/cycle-gan-tf
Reimplementation of cycle-gan(https://arxiv.org/pdf/1703.10593.pdf) with improved w-gan(https://arxiv.org/abs/1704.00028) loss in tensorflow.
msultan/CycleGAN
Software that can generate photos from paintings, turn horses into zebras, perform style transfer, and more.
msultan/DCGAN-tensorflow
A tensorflow implementation of "Deep Convolutional Generative Adversarial Networks"
msultan/examples
A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.
msultan/mdentropy
Entropy calculations for MD data
msultan/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
msultan/modAL
A modular active learning framework for Python3
msultan/msmexplorer
Visualizations for statistical models of biomolecular dynamics
msultan/osprey
osprey is the plumbing for machine learning hyperparameter optimization.
msultan/paper-bray2017
Source code from Bray et al., (2017) A dataset of images and morphological profiles of 30,000 small-molecule treatments using the Cell Painting assay.
msultan/PyDHAMed
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
msultan/pytorch-CycleGAN-and-pix2pix
Image-to-image translation in PyTorch (e.g. horse2zebra, edges2cats, and more)
msultan/reinforcement-learning
Implementation of Reinforcement Learning Algorithms. Python, OpenAI Gym, Tensorflow. Exercises and Solutions to accompany Sutton's Book and David Silver's course.
msultan/tensorflow-generative-model-collections
Collection of generative models in Tensorflow
msultan/trackviz
Python 2d/3d trajectory visualization library
msultan/website_source
source data for the website