6 skills found
GLambard / Molecules Dataset CollectionCollection of data sets of molecules for a validation of properties inference
deepchem / MoleculenetMoleculenet.ai Datasets And Splits
shenwanxiang / ChemBenchMoleculeNet benchmark dataset & MolMapNet dataset
MoleculeTransformers / Smiles FeaturizersExtract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.
bayer-science-for-a-better-life / Molnet Geometric LightningMoleculeNet Benchmarks in Pytorch Lightning with Torch Geometirc
GeorgeBatch / MoleculenetMSc Dissertation: Estimating Uncertainty in Machine Learning Models for Drug Discovery
