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Yuriy Khalak's Projects

anchonea icon anchonea

A homebrew setting and associated campaign notes

dino_game icon dino_game

curses-based clone of the firefox dino game. Used as an exercise to teach kids python.

egfr_pic50 icon egfr_pic50

Classifier for active compounds binding to the Epidermal Growth Factor Receptor (EGFR).

emilib icon emilib

Loose collection of misc C++ libs

logistix icon logistix

A browser game about supplying an active front.

pmx icon pmx

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

sampl7 icon sampl7

Challenge details, inputs, and (eventually) results for the SAMPL7 series of challenges

transferlearningfrompls icon transferlearningfrompls

Demonstration of transfer learning from Partial Least Squares to a Perceptron model on an example of hydration free energies from the FreeSolv dataset.

xtp icon xtp

Extension library for internal quantum-chemical calculations, provides GW-BSE modules and support for exciton dynamics.

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