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Projet visibles pour les étudiants HPC HEPIA 2021-2022

softs

EmoTris is a game based on tetris game done for MHNN which adapts it difficulty to the player emotions. EmoTris is based on the GamEMO system (see bellow).

Unsupervised anomaly detection for Copy Detection Patterns (CDP).

A framework for Quantum Chemistry to create input files from a template and automatically submit them at once.

A set of script using RDKit and MolVS to proceed to the standardization , sanitization and different format conversion. Parallelized.

Network principal component analysis developed by Santiago Codesido Sanchez

Set of scripts and notebook to proceed to the batch classification of structures (InChI, SMILES or InChIKey) against ClassyFire framework.

script adapted form pylibmass-virtuous (bjonhh) for mgf to msp conversion