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Name: Shasha
Type: User
Bio: Aspiring computational structural biologist and machine learning passionist.
Location: Bethlehem, PA, US
Name: Shasha
Type: User
Bio: Aspiring computational structural biologist and machine learning passionist.
Location: Bethlehem, PA, US
ndcg opt
A lipid assembly for MD simulation produced by CHARMM-GUI website
PyTorch implementation of AlphaZero Connect from scratch (with results)
My resume
A simple tutorial for using Autodock Vina to find the ligand binding pose
Awesome papers related to generative molecular modeling and design from computational chemistry perspective
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
Script and operations for processing EM data
This folder contains most of my independent data science projects.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A Dockerfile repository for using CHARMM in Docker container
Dockerfile for GPU-supported OpenMM in Docker containers
A jekyll theme for minimal editions
For sharing my jupyter notebook materials and scripts
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.
GREMLIN - learn MRF/potts model from input multiple sequence alignment! Implementation now available in C++ and Tensorflow/Python!
Install PyTorch with GPU support on HPC
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Repository that contains parameter files for MK-8 head group and isoprenoid tails
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
This repository contains code and examples to model multiple missing loops in tetrameric protein.
Open source implementation of "Neural Message Passing for Quantum Chemistry"
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.