Highlights
- Pro
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pyEF Public
Package for the calculating electric fields and ESP in molecular systems.
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kastner Public
Personal website
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pyQMMM Public
Collection of tools for running MD, QM, and QM/MM calculations
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quantumPDB Public
Workflow for generate a database of proteins with quantum properties
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molecuLearn Public
Extract patterns from ab-initio molecular dynamics simulations using machine learning.
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illustratedAtom Public
Scientific illustration gallery
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evoAllostery Public
Statistical coupling analysis of siglec proteins
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quantumAllostery Public
Identify electronic allostery in ab-initio molecular dynamics simulations.
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3DScience Public
MIT 20.S947 course on 3D scientific rendering
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sandworm Public
Weekend hobby project to build simple playable simulations
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adaptBionics Public
3D-printed bioinspired bionics
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