10 projects
syntheseus-chemformer
Fork of Chemformer for use in the syntheseus library
syntheseus-local-retro
Fork of LocalRetro for use in the syntheseus library
syntheseus
A package for retrosynthetic planning.
syntheseus-graph2edits
Fork of Graph2Edits for use in the syntheseus library
molecule-generation
Implementations of deep generative models of molecules.
syntheseus-root-aligned
Fork of RootAligned for use in the syntheseus library
syntheseus-mhnreact
Fork of MHNreact for use in the syntheseus library
syntheseus-megan
Fork of MEGAN for use in the syntheseus library
syntheseus-PySMILESutils
Fork of PySMILESutils for use in the syntheseus library
tf2-gnn
TensorFlow 2.0 implementation of Graph Neural Networks.
