sha256feng
Aspiring computational structural biologist and machine learning passionist.
Bethlehem, PA, US
Pinned Repositories
a-sample-lipid-simulation
A lipid assembly for MD simulation produced by CHARMM-GUI website
Autodock-vina-example
A simple tutorial for using Autodock Vina to find the ligand binding pose
cryo-em-processing
Script and operations for processing EM data
dockerfile-charmm
A Dockerfile repository for using CHARMM in Docker container
dockerfile-openmm-cuda
Dockerfile for GPU-supported OpenMM in Docker containers
LanczosNetwork
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
Model-long-missing-loop
This repository contains code and examples to model multiple missing loops in tetrameric protein.
paper_boltzmann_generators
protein-sequence-embedding-iclr2019
Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019
sha256feng's Repositories
sha256feng/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
sha256feng/nma
Normal Mode Analysis for Macromolecules
sha256feng/personal-web
sha256feng/pystruct
Simple structured learning framework for python
sha256feng/andreidbr.github.io
My resume
sha256feng/Data_Science_Projects
This folder contains most of my independent data science projects.
sha256feng/ed
A jekyll theme for minimal editions
sha256feng/github-pages-with-jekyll
sha256feng/GNN_molecules
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
sha256feng/Hello-world
sha256feng/mpnn
Open source implementation of "Neural Message Passing for Quantum Chemistry"
sha256feng/REST2-examples
REST2 Examples
sha256feng/sha256feng.github.io