Cas Wognum's repositories
3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
Language:Python000
datamol
Molecular Manipulation Made Easy.
Language:PythonApache-2.0000
graphium
Graphium: Scaling molecular GNNs to infinity.
Language:PythonApache-2.0000
mkdocs-jupyter-feedstock
A conda-smithy repository for mkdocs-jupyter.
BSD-3-Clause000
molfeat-feedstock
A conda-smithy repository for molfeat.
BSD-3-Clause000
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:PythonBSD-3-Clause000
torch-metrics
Machine learning metrics for distributed, scalable PyTorch applications.
Language:PythonApache-2.0000