Tools¶
This page lists all documentation sites and tools available in the HUI-MY ecosystem.
Computational Biology Tools¶
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GeneAnalyzer
---
Gene expression analysis and variant calling pipeline.
Documentation
GitHub -
:material-protein: ProteinFold
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Protein structure prediction using deep learning.
Documentation
GitHub -
FlexTrimmer
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Machine learning-based protein flexibility analysis and trimming.
Documentation
GitHub
High-Performance Computing¶
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BioCUDA
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GPU-accelerated library for computational biology.
Documentation
GitHub -
Vina-CUDA
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CUDA-accelerated molecular docking based on AutoDock Vina.
Documentation
GitHub -
Protein Phaser
---
High-performance C++ framework for PDB/mmCIF parsing.
Documentation
GitHub
Molecular Simulation & Docking¶
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Vina Virtual Screening
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High-throughput virtual screening workflow using AutoDock Vina.
Documentation
GitHub -
GROMACS Simulation Suite
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Automated multi-system molecular dynamics simulation framework.
Documentation
GitHub -
MD Analysis Toolkit
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RMSD, RMSF, Rg, and MM-PBSA analysis pipelines.
Documentation
GitHub
Computational Chemistry & ML¶
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RESP Charge Workflow
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Batch RESP charge calculation using ORCA and MultiWFN.
Documentation
GitHub -
ResNet Predictor
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Deep learning model for molecular property prediction (planned).
Documentation
GitHub