Computational Biology Laboratory @ LNBio/CNPEM

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16 repositories

pyKVFinder
Public
pyKVFinder: Python-C parallel KVFinder
scripting python-package numpy-arrays cavity-detection cavity-characterization
Python
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GNU General Public License v3.0
•10•22•1•5•Updated Jan 6, 2025Jan 6, 2025
KVFinder-web
Public
KVFinder-web: an open-source web-based application for cavity detection and characterization in biomolecules
web-server web-service web-service-client cavity-detection cavity-characterization
Python
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Apache License 2.0
•0•1•0•0•Updated Dec 11, 2024Dec 11, 2024
SERD
Public
SERD: Solvent-Exposed Residues Detection
structural-biology graph-theory python-package graph-representations solvent-accessibility
Python
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GNU General Public License v3.0
•1•4•1•0•Updated Nov 12, 2024Nov 12, 2024
parKVFinder
Public
parKVFinder: thread-level parallel KVFinder
pymol-plugin cavity-characterization cavity-detection
Python
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GNU General Public License v3.0
•7•12•0•0•Updated Sep 24, 2024Sep 24, 2024
parKVFinder-win
Public
parKVFinder-win: thread-level parallel KVFinder for Windows
pymol-plugin cavity-characterization cavity-detection
C
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GNU General Public License v3.0
•3•9•0•0•Updated Sep 12, 2024Sep 12, 2024
SMC-Benchmarking
Public
Benchmarking of cavity detection methods in supramolecular cages
benchmarking chemistry cavity-detection cavity-characterization supramolecular-cages
Python
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MIT License
•2•0•0•0•Updated May 21, 2024May 21, 2024
.github
Public
0•0•0•0•Updated May 14, 2024May 14, 2024
ESMIFDesign
Public
ESMDesign uses ESM-IF1 for the design of fragments within multichain proteins
tcr protein-design immunoinformatics
Python
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MIT License
•1•3•0•0•Updated Mar 28, 2024Mar 28, 2024
KVFinder-web-portal
Public
KVFinder-web portal: a Shiny App for interacting with KVFinder-web service
web-interface shiny-apps cavity-detection cavity-characterization
R
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Apache License 2.0
•2•1•1•1•Updated Nov 27, 2023Nov 27, 2023
KVFinder-web-service
Public
KVFinder-web service: a RESTful web service modularized using docker containers
web-server web-service cavity-detection cavity-characterization
Rust
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Apache License 2.0
•2•2•0•0•Updated Oct 10, 2023Oct 10, 2023
PyMOL-KVFinder-web-Tools
Public
PyMOL KVFinder-web Tools: a PyMOL v2 plugin for interacting with KVFinder-web service
pymol-plugin webservice-client cavity-detection cavity-characterization
Python
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GNU General Public License v3.0
•1•1•0•1•Updated Jun 5, 2023Jun 5, 2023
scipion_singularity
Public
1•0•0•0•Updated Nov 11, 2022Nov 11, 2022
cellprofiler-docker
Public
Dockerfile to build a working CellProfiler (http://cellprofiler.org/) image
Dockerfile
•4•0•0•2•Updated Aug 10, 2022Aug 10, 2022
TrkA_models
Public
0•0•0•0•Updated Jan 7, 2022Jan 7, 2022
sfrag
Public
Python
•2•0•0•0•Updated Feb 21, 2017Feb 21, 2017
compose_scores
Public archive
Create a composite score for combination of NR-DNA single scores
C++
•1•0•0•0•Updated Nov 3, 2016Nov 3, 2016