msultan

vde_metadynamics. Enhanced protein mutational sampling using time-lagged variational autoencoders

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_paper_1. Accelerating MD and MSM by running Metadynamics along tICA coordinates

tica_metadynamics. Efficient sampling of protein mutants via transfer learning from the wild-type simulation

correlation_metrics. Python

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.

pytorch-tutorial-1. PyTorch Tutorial for Deep Learning Researchers

fah-reseeder. fast way to reseed

llm_stuff. Jupyter Notebook

torchchem. An experimental repo for experimenting with PyTorch models

Deep-Learning-Papers-Reading-Roadmap. Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!

tica_umbrella. Python

cs231n_assignments. Jupyter Notebook

backup_msultan.github.io. web page

PyTorch-Tutorial. Build your neural network easy and fast