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Carnegie Mellon University
- Pittsburgh, PA
- http://olexandrisayev.com
- https://orcid.org/0000-0001-7581-8497
- @olexandr
Highlights
- Pro
Stars
Bring data to life with SVG, Canvas and HTML. πππ
π«π· Oh my tmux! My self-contained, pretty & versatile tmux configuration made with β€οΈ
This guide should help fellow researchers and hobbyists to easily automate and accelerate there deep leaning training with their own Kubernetes GPU cluster.
AWS EC2 setup files for Startup Engineering MOOC.
Simple scripts to setup a fresh data science box using an Ubuntu 12.04.* LTS 64-bit server running on an EC2
Official repository of open data MassBank records
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.
Useful tools written for Gaussian (an electronic structure program for computational chemistry)
HPC Benchmarks for most popular applications in Chemistry, Physics, Biology, and some other related subjects
Introduction to Statsmodels Talk for Statistical Programming DC Meetup
A Tool-chain for Automating the Workflow of Machine-Learning Based Performance Tuning
Free-energy workflow providing absolute binding free energies from short MD and implicit-solvation to assess the stability of docking poses