Semi-equivariant conditional normalizing flows, with applications to target-aware molecule generation
Learning over the domain of 3D graphs has applications in a number of scientific and engineering disciplines, including molecular chemistry, high energy physics, and computer vision. We consider a specific problem in this domain, namely: given one such 3D graph, dubbed the base graph, our goal is to...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2023-01-01
|
| Series: | Machine Learning: Science and Technology |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2632-2153/ace58c |