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

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

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

Machine learning attack on copy detection patterns: are 1x1 patterns cloneable?

Unsupervised anomaly detection for Copy Detection Patterns (CDP).

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

Web interface for Slurm based cluster

The public repository for the code COFFE