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14 repositories

mcerp2
Public
reimplementation of mcerp
Python
•
MIT License
•0•0•0•0•Updated May 26, 2025May 26, 2025
local-colabfold-server
Public
Colabfold / Alphafold3 web interface and job scheduler
Python
•
MIT License
•1•0•0•0•Updated May 5, 2025May 5, 2025
motif-search
Public
Searching for motifs / side chain constellations in a proteins structure
protein-structure structure-motif active-sites python3
Python
•
MIT License
•1•1•0•0•Updated May 2, 2025May 2, 2025
shortest-path
Public
Find shortest path between selected residues in a protein structure
protein-structure protein shortest-path shortest-path-algorithm protein-structure-analysis python3
Python
•
MIT License
•0•0•0•0•Updated Mar 26, 2025Mar 26, 2025
Enzyme-Reaction-Dynamics-Tutorial
Public
Tutorial
Shell
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GNU General Public License v3.0
•1•0•0•0•Updated Mar 26, 2025Mar 26, 2025
image-dms
Public
Predicting mutation effects based on deep mutational scanning data
machine-learning cnn data-augmentation deep-mutational-scanning pretraining
Python
•
MIT License
•0•3•0•5•Updated Mar 21, 2025Mar 21, 2025
af3jobs
Public
Generate JSON job files for AlphaFold3
Python
•
MIT License
•0•1•0•0•Updated Mar 16, 2025Mar 16, 2025
psatm
Public
Create pseudoatoms at the centroid of the catalytic atoms of a residue
protein-structure protein centroid pseudoatom
Rust
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MIT License
•0•0•0•0•Updated Feb 17, 2025Feb 17, 2025
kmeans
Public
Kmeans for npy distance matrices
Rust
•
MIT License
•0•0•0•0•Updated Jan 14, 2025Jan 14, 2025
mcerp
Public
Real-time latin-hypercube sampling-based Monte Carlo ERror Propagation
Python
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BSD 3-Clause "New" or "Revised" License
•27•0•0•0•Updated Dec 26, 2024Dec 26, 2024
utils
Public
small scripts for different needs
Python
•
MIT License
•0•0•0•1•Updated Aug 31, 2024Aug 31, 2024
structural-properties
Public
Calculate protein structure properties
protein-structure hydrogen-bonds salt-bridges hydrophobic-cluster python3
Python
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MIT License
•0•0•0•5•Updated Jun 26, 2023Jun 26, 2023
statistics-apps
Public
Dash apps, biostatistics
Python
•
MIT License
•0•0•0•0•Updated May 2, 2023May 2, 2023
.github
Public
0•0•0•0•Updated Jan 18, 2023Jan 18, 2023

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