End-to-end AI framework for interpretable prediction of molecular and crystal properties

Keyphrases

• Acceleration Model 50%
• AI Framework 100%
• AI Inference 50%
• AI Models 100%
• AI-based Methods 50%
• Computational Framework 50%
• Computing Environment 100%
• Computing Facility 50%
• Crystalline Properties 100%
• Digital Assets 50%
• GitLab 50%
• Google Colab 50%
• Hyperparameter Optimization 50%
• Inorganic Crystals 50%
• Interpretable Prediction 100%
• Jupyter Notebook 50%
• Leadership Computing 50%
• Material Properties 50%
• Metal-organic Frameworks (MOFs) 50%
• Modern Computing 50%
• Modern Tools 50%
• Molecular Properties 100%
• Nanoporous Metals 50%
• National Center 50%
• Ready-to-use 50%
• SchNet 50%
• Scientific Software 50%
• Small Molecules 50%
• Training Model 50%
• Transformer 50%

Computer Science

• Artificial Intelligence 100%
• Computing Environment 50%
• Computing Facility 25%
• Cryptographic Asset 25%
• Explainable Artificial Intelligence 25%
• Open Source 25%
• Supercomputer 50%
• Training Model 25%