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M. Kulichenko

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Aug 2026

ALF: Open-Source Active Learning Framework for Atomistic Modeling

The Active Learning Framework (ALF), an open-source Python package designed to streamline the design and deployment of MLIP training datasets on High Performance Computing resources, is introduced, illustrating ALF’s effectiveness in compiling datasets that capture essential chemical and structural regimes.

V. Grizzi, P. Lohr, Nikita Fedik et al. · 0 citations