libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning Applications.
Jocelyn SunseriDavid Ryan KoesPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- deep learning
- graphics processing units
- gpu implementation
- graphics hardware
- general purpose
- microarray
- unsupervised learning
- parallel computing
- compute unified device architecture
- parallel implementation
- machine learning
- unsupervised feature learning
- real time
- parallel processing
- massively parallel
- computing systems
- mental models
- floating point
- three dimensional
- high performance computing
- supervised learning
- training set
- multiscale
- training data