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4 repositories

FEWer
Public
Collection of scripts to automize a parallelize Amber's FEW protocol (MM-PBSA) on multiple GPUs
Shell
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MIT License
•0•0•0•0•Updated Feb 4, 2026Feb 4, 2026
SimSpread.jl
Public
SimSpread is a novel approach for predicting interactions between two distinct set of nodes, query and target nodes, using a similarity measure vector between q…
cheminformatics predictive-modeling julia-package prediction-model
Julia
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MIT License
•4•1•2•0•Updated Jan 29, 2026Jan 29, 2026
ijms2022_simspread
Public
De novo target prediction by chemical similarity-guided network-based inference
cheminformatics drug-discovery target-prediction drug-target-interactions
Julia
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MIT License
•0•2•0•0•Updated Jan 7, 2026Jan 7, 2026
yamanishi2008
Public
Datasets from ""Prediction of drug-target interaction networks from the integration of chemical and genomic spaces" (Yamanishi, 2008)
Jupyter Notebook
•0•1•0•0•Updated Mar 2, 2021Mar 2, 2021