Twofold Machine-Learning and Molecular Dynamics: A Computational Framework.
Christos StavrogiannisFilippos SofosMaria SagriDenis VavougiosTheodoros E. KarakasidisPublished in: Comput. (2024)
Keyphrases
- computational framework
- molecular dynamics
- machine learning
- computational model
- high performance computing
- scientific data
- machine learning methods
- molecular dynamics simulations
- protein folding
- data mining
- data generation
- computer vision
- learning algorithm
- database
- semi supervised learning
- active learning
- data streams
- massively parallel
- databases