materialyzeai/m3gnet
Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
Archived314 stars. No commits in the last 6 months.
Stars
314
Forks
74
Language
Python
License
BSD-3-Clause
Category
Last pushed
Apr 07, 2025
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/materialyzeai/m3gnet"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Higher-rated alternatives
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
deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
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...