atomistic-machine-learning /SchNet
Atomistic system property prediction
★ 944 · Updated 2d ago · Licence unknown
Molecular graph property prediction
The paper or list names a code repository. The repository itself was not opened.
Last commit 2023-10-03
The year the source list gave; the exact date was not checked.
atomistic-machine-learning /SchNet
Atomistic system property prediction
★ 944 · Updated 2d ago · Licence unknown
TUM-DAML /GemNet
Directional graph neural network for molecules
★ 222 · Updated 3y ago · Licence unknown
MMunibas /PhysNet
Code for training PhysNet models
★ 119 · Updated 4y ago · MIT
OUnke /SpookyNet
Machine-learned interatomic potential with electronic effects
★ 88 · Updated 4y ago · MIT
lingcon01 /LumiNet
Binding free energy prediction and visualization
★ 18 · Updated 1y ago · MIT
mirunacrt /SynFlowNet
Synthesis-based molecule generation via GFlowNet
★ 135 · Updated 1y ago · MIT