Machine Learning of coarse-grained Molecular Dynamics Force Fields.
Jiang WangChristoph WehmeyerFrank NoéCecilia ClementiPublished in: CoRR (2018)
Keyphrases
- coarse grained
- molecular dynamics
- protein folding
- fine grained
- machine learning
- high performance computing
- molecular dynamics simulations
- computer vision
- access control
- protein sequences
- learning algorithm
- high level
- machine learning methods
- scientific data
- information extraction
- shared memory
- massively parallel
- active learning
- data mining
- data generation
- knowledge representation
- text classification
- natural language processing
- computing systems
- artificial intelligence
- probabilistic model
- data warehouse
- fluid flow
- hiv protease
- data management