DrugM8

All

4 repositories

CADD_Vault
Public
chemistry cheminformatics molecular-dynamics computational-biology computational-chemistry molecular-simulation compchem computational-physics drug-discovery drug-repurposing
HTML
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Creative Commons Attribution 4.0 International
•3•26•0•0•Updated Nov 11, 2024Nov 11, 2024
VoteM8
Public
VoteM8 - A Python package for consensus scoring
consensus scoring virtual-screening molecular-docking protein-ligand-scoring
Python
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MIT License
•0•0•0•0•Updated Oct 31, 2024Oct 31, 2024
DockM8
Public
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
cheminformatics computational-chemistry compchem drug-discovery docking drug-design protein-ligand-interactions virtual-screening molecular-modeling molecular-docking
Jupyter Notebook
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GNU General Public License v3.0
•5•34•23•0•Updated Sep 30, 2024Sep 30, 2024
dockm8-web
Public
CSS
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MIT License
•0•0•0•0•Updated Mar 12, 2024Mar 12, 2024