msultan

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

kinase_msm

set of scripts to analyze kinases

vde-1

Variational Autoencoder for Dimensionality Reduction of Time-Series

kinase_metadynamics

Sequence agnostic CVs for enhancing kinase simulations.

cs231n_assignments

Deep-Learning-Papers-Reading-Roadmap

Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!

msultan.github.io

web page

PyTorch-Tutorial

Build your neural network easy and fast

msmbuilder

sklearn-compatible mixture and hidden Markov models

accelerated_sampling_with_autoencoder

Accelerated sampling framework with autoencoder-based method

algorithms

Minimal examples of data structures and algorithms in Python

conda-recipes

conda build recipes for the Omnia project

cs231n.github.io

Public facing notes page

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.

CycleGAN

Software that can generate photos from paintings, turn horses into zebras, perform style transfer, and more.

DCGAN-tensorflow

A tensorflow implementation of "Deep Convolutional Generative Adversarial Networks"

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

examples

A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.

mdentropy

Entropy calculations for MD data

mdtraj

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

msmexplorer

Visualizations for statistical models of biomolecular dynamics

osprey

osprey is the plumbing for machine learning hyperparameter optimization.

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.

PyDHAMed

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

pytorch-CycleGAN-and-pix2pix

Image-to-image translation in PyTorch (e.g. horse2zebra, edges2cats, and more)

reinforcement-learning

Implementation of Reinforcement Learning Algorithms. Python, OpenAI Gym, Tensorflow. Exercises and Solutions to accompany Sutton's Book and David Silver's course.

tensorflow-cycle-gan

This is my attempt at recreating the CycleGAN paper: https://arxiv.org/pdf/1703.10593.pdf

tensorflow-generative-model-collections

Collection of generative models in Tensorflow

website_source

source data for the website