| materialsvirtuallab/megnet |
444 |
|
0 |
0 |
almost 3 years ago |
0 |
|
21 |
bsd-3-clause |
Jupyter Notebook |
| Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals |
| MolecularAI/GraphINVENT |
312 |
|
0 |
0 |
about 3 years ago |
0 |
|
10 |
mit |
Python |
| Graph neural networks for molecular design. |
| jparkhill/TensorMol |
190 |
|
0 |
0 |
about 8 years ago |
1 |
November 08, 2017 |
16 |
gpl-3.0 |
Python |
| Tensorflow + Molecules = TensorMol |
| mawalu/wireguard-private-networking |
126 |
|
0 |
0 |
almost 5 years ago |
0 |
|
4 |
mit |
Jinja |
| Build your own multi server private network using wireguard and ansible |
| aimat-lab/gcnn_keras |
94 |
|
0 |
2 |
about 2 years ago |
26 |
November 29, 2023 |
10 |
mit |
Jupyter Notebook |
| Graph convolutions in Keras with TensorFlow, PyTorch or Jax. |
| aiqm/aimnet |
31 |
|
0 |
0 |
over 6 years ago |
0 |
|
3 |
mit |
Python |
| Atoms In Molecules Neural Network Potential |
| blackmints/3DGCN |
29 |
|
0 |
0 |
almost 7 years ago |
0 |
|
1 |
mit |
Python |
| Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation |
| chennnnnyize/Generative-Molecules |
15 |
|
0 |
0 |
almost 8 years ago |
0 |
|
0 |
|
Python |
| devalab/CIGIN |
14 |
|
0 |
0 |
over 5 years ago |
0 |
|
2 |
mit |
Jupyter Notebook |
| AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules |
| msneddon/nfsim |
12 |
|
0 |
0 |
over 7 years ago |
0 |
|
14 |
mit |
C++ |
| A general-purpose, stochastic, biochemical reaction simulator for large reaction networks |
