nmp_qc/models at 39340a3201e655825b3017525667d289312762c0 · priba/nmp_qc · GitHub

Name		Name	Last commit message	Last commit date
parent directory ..
MPNN.py		MPNN.py
MPNN_Duvenaud.py		MPNN_Duvenaud.py
MPNN_GGNN.py		MPNN_GGNN.py
MPNN_IntNet.py		MPNN_IntNet.py
README.md		README.md
__init__.py		__init__.py
nnet.py		nnet.py

README.md

#Available MPNN models

Explanation

Duvenaud

Input:
Output:

GGNN

Input:
Output:

IntNet

Input:
Output:

MPNN as proposed by Gilmer et al.

Input:
Ouput: