| awslabs/dgl-lifesci |
558 |
|
0 |
4 |
almost 3 years ago |
17 |
December 21, 2022 |
25 |
apache-2.0 |
Python |
| Python package for graph neural networks in chemistry and biology |
| 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 |
| masashitsubaki/molecularGNN_smiles |
182 |
|
0 |
0 |
over 5 years ago |
0 |
|
5 |
apache-2.0 |
Python |
| The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules. |
| GustikS/NeuraLogic |
84 |
|
0 |
0 |
over 2 years ago |
2 |
February 23, 2022 |
0 |
mit |
Java |
| Deep relational learning through differentiable logic programming. |
| pcko1/Deep-Drug-Coder |
75 |
|
0 |
0 |
over 5 years ago |
0 |
|
1 |
mit |
Python |
| A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca. |
| Gananath/DrugAI |
56 |
|
0 |
0 |
about 7 years ago |
0 |
|
0 |
|
Python |
| Generation and Classification of Drug Like molecule usings Neural Networks |
| ml-jku/sars-cov-inhibitors-chemai |
36 |
|
0 |
0 |
over 5 years ago |
0 |
|
0 |
mit |
|
| Large-scale ligand-based virtual screening for potential SARS-Cov-2 inhibitors using a deep neural network |
| aiqm/aimnet |
31 |
|
0 |
0 |
over 6 years ago |
0 |
|
3 |
mit |
Python |
| Atoms In Molecules Neural Network Potential |
| pfnet-research/hierarchical-molecular-learning |
11 |
|
0 |
0 |
almost 8 years ago |
0 |
|
0 |
mit |
Python |
| Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168) |
