DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
GNU Lesser General Public License v3.0
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[Enhancement] Improved EANN Model with Hard Cutoff for Efficient Inte… #178
[Enhancement] Improved EANN Model with Hard Cutoff for Efficient Interaction Handling
Enabled hard cutoff in EANN model, aligning with cutoff rules in XML file.
Allows processing of larger atom pairs, minimizing unnecessary interaction counts.
[Enhancement] Improved EANN Model with Hard Cutoff for Efficient Interaction Handling
Enabled hard cutoff in EANN model, aligning with cutoff rules in XML file. Allows processing of larger atom pairs, minimizing unnecessary interaction counts.