Molecular Modeling
2 skills with this tag
K-Dense-AI
Passed
Torch Geometric
Graph Neural Networks (PyG). Node/graph classification, link prediction, GCN, GAT, GraphSAGE, heterogeneous graphs, molecular property prediction, for geometric deep learning.
Graph Neural NetworksPytorchMachine Learning+3
802.5k
K-Dense-AI
Passed
Deepchem
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
Machine LearningDrug DiscoveryChemistry+3
602.5k