Auto-Encoding Molecular Conformations.
Robin WinterFrank NoéDjork-Arné ClevertPublished in: CoRR (2021)
Keyphrases
- protein structure prediction
- protein structure
- molecular structure
- fractal image compression
- low energy
- amino acids
- protein folding
- drug discovery
- three dimensional
- data sets
- encoding scheme
- secondary structure
- molecular structures
- protein protein
- drug design
- variable length
- protein sequences
- motion estimation
- high quality
- decision trees
- search engine
- neural network