akensert/molgraph
Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.
Available on PyPI.
Stars
62
Forks
5
Language
Python
License
MIT
Category
Last pushed
Mar 09, 2026
Monthly downloads
674
Commits (30d)
0
Dependencies
5
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/akensert/molgraph"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Related frameworks
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
CederGroupHub/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling...
microsoft/mattersim
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.