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softs

Repository to store authorization server of Solidify framework

Les tps du cours de génie logiciel de 3ème année au CUI.

High-resolution spectroscopy pipeline

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

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

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

Annex for the HPC AIMP 2019 related to the PL12146

Unsupervised anomaly detection for Copy Detection Patterns (CDP).