Pinned Repositories
3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
admin-requests
datamol
Molecular Manipulation Made Easy.
graphium
Graphium: Scaling molecular GNNs to infinity.
mkdocs-jupyter-feedstock
A conda-smithy repository for mkdocs-jupyter.
molfeat-feedstock
A conda-smithy repository for molfeat.
polaris-feedstock
A conda-smithy repository for polaris.
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
auroris
Curate datasets with ease.
polaris
Foster the development of impactful AI models in drug discovery.
cwognum's Repositories
cwognum/3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
cwognum/admin-requests
cwognum/datamol
Molecular Manipulation Made Easy.
cwognum/graphium
Graphium: Scaling molecular GNNs to infinity.
cwognum/mkdocs-jupyter-feedstock
A conda-smithy repository for mkdocs-jupyter.
cwognum/molfeat-feedstock
A conda-smithy repository for molfeat.
cwognum/polaris-feedstock
A conda-smithy repository for polaris.
cwognum/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
cwognum/torch-metrics
Machine learning metrics for distributed, scalable PyTorch applications.