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Name: David Koes
Type: User
Company: University of Pittsburgh
Bio: Removing barriers to computational drug discovery one bit at a time.
Twitter: david_koes
Location: Pittsburgh
Blog: http://bits.csb.pitt.edu
Name: David Koes
Type: User
Company: University of Pittsburgh
Bio: Removing barriers to computational drug discovery one bit at a time.
Twitter: david_koes
Location: Pittsburgh
Blog: http://bits.csb.pitt.edu
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.
Read and explore NetCDF files
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
An application for configuring and running simulations with OpenMM
Fork of Frank Salim's pickle-js
A Python Package for Protein Dynamics Analysis
Collected scripts for Pymol
Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
The official sources for the RDKit library
A collection of cheminformatics scripts that use rdkit
Deep Reinforcement Learning for de-novo Drug Design
Boost.org serialization module
PyMOL Plugin for displaying polar contacts
An all-atom protein structure dataset for machine learning.
Slurm: A Highly Scalable Workload Manager
Spearmint is a package to perform Bayesian optimization according to the algorithms outlined in the paper: Practical Bayesian Optimization of Machine Learning Algorithms. Jasper Snoek, Hugo Larochelle and Ryan P. Adams. Advances in Neural Information Processing Systems, 2012
An Open Source Machine Learning Framework for Everyone
Torque Repository
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.