Evgenii Osipov's repositories
awesome-python
A curated list of awesome Python frameworks, libraries, software and resources
Awesome_BigData_AI_DrugDiscovery
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.
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design_tools
A compilation of deep learning methods for protein design
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drug-computing
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
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e-osipov.github.io
My blog ver 2
ProteinMPNN
Code for the ProteinMPNN paper
Language:Jupyter NotebookMIT000
Pymol-script-repo
Collected scripts for Pymol
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PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
rdkit-scripts
A collection of cheminformatics scripts that use rdkit
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Sire
Sire Molecular Simulations Framework
Language:C++GPL-2.0000