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Ruite Xiang's Projects

dlkcat icon dlkcat

Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction

ep-pred icon ep-pred

A machine learning program to predict promiscuity of esterases

mljar-supervised icon mljar-supervised

Python package for AutoML on Tabular Data with Feature Engineering, Hyper-Parameters Tuning, Explanations and Automatic Documentation

mn_bash_runners icon mn_bash_runners

A collection of bash files to launch jobs in different MareNostrum clusters

peleffy icon peleffy

The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

pmx icon pmx

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

the-incredible-pytorch icon the-incredible-pytorch

The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relating to PyTorch.

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