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@@ -243,6 +243,12 @@ PAMNet(Physics-aware Multiplex Graph Neural Network) is an improved version of M
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Multi-fidelity GNNs for drug discovery and quantum mechanics
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- [GPIP](https://github.com/cuitaoyong/GPIP)
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GPIP: Geometry-enhanced Pre-training on Interatomic Potentials.they propose a geometric structure learning framework that leverages the unlabeled configurations to improve the performance of MLIPs. Their framework consists of two stages: firstly, using CMD simulations to generate unlabeled configurations of the target molecular system; and secondly, applying geometry-enhanced self-supervised learning techniques, including masking, denoising, and contrastive learning, to capture structural information
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- [CHGNet](https://github.com/CederGroupHub/chgnet)
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A pretrained universal neural network potential for charge-informed atomistic modeling (see publication)
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- [GPTFF](https://arxiv.org/abs/2402.19327)
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GPTFF: A high-accuracy out-of-the-box universal AI force field for arbitrary inorganic materials
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### Transformer Domain
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- [SpookyNet](https://github.com/OUnke/SpookyNet)
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<br>Spookynet: Learning force fields with electronic degrees of freedom and nonlocal effects.

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