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Annex for the HPC AIMP 2019 related to the PL12146

The repository for the work-in-progress khb R package.

Repository for DLCM user portal

This repository contains the codes for the data analysis part of the e-sport project

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.

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

Repository to store hedera Module backends

Network principal component analysis developed by Santiago Codesido Sanchez