SmartChemDesign
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matgen
matgen PublicForked from scidatasoft/matgen
The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision support at a pre-synthetic stage. Though, the existing metho…
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- melting-point Public
- GRADE Public
Desktop app for predicting and visualizing the electronic density of states of crystalline materials using a graph neural network
- kie Public
- AXES Public
- Fukui_Net Public Forked from SergeiNikolenko/Fukui_Net
Neural network for predicting Fukui indices using Kernel-based Attention Networks (KAN) with Chebyshev graph convolutions.
- HERDB Public
- ActStabML Public
- molgraphX Public
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