Pinned Loading
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align_pc
align_pc PublicSnapshot of my PC/GPU-CUDA workspace for running models/tools for the AlignBio2025 tournament (instead of my regular Mac-ARM setup). You will find code that is compatible with your NVIDIA GPU to ru…
Jupyter Notebook
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CypSurf
CypSurf Public(DONE) GPU-parallelized implementation of the BSV generation step (from Kuvek et al. 2026). This is basically the code on my PC setup for this side project.
Python
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CYPomeExplorer
CYPomeExplorer Public(~70% done) Reproduction of the paper by Tea Kuvek et al (Binding Site Vectors Enable Mapping of Cytochrome P450 Functional Landscapes). Link: https://pubs.acs.org/doi/10.1021/acs.jcim.5c02705
Portugol
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petase-snapshot
petase-snapshot PublicCurrent results of our team's AlignBio2025 Tournament hackathon. (Still messy)
Jupyter Notebook 1
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