Toggle navigation
JUPYTER
FAQ
View on GitHub
Execute on Binder
main
branch
ablation
add-preprint-and-zenodo
add-preprint-reference
add-python311
assay_analysis
assay_pairs_kinodata3d
crocodoc_residue_model
crocodoc
fix_uv_issue
gasteiger
improvements
in_n_out
integrated_gradients
ligand_only
ligand_pairs_ondisk
ligand_pairs
main
make-release-and-docker-file
model-docs
monitor
negated_bias_vector
no_charge
residue_info
splits-specify-chembl-id-rerun
structural_debiasing_quantification
structural_debiasing_xai
structural_debiasing
tag
v2.0
kinodata-3D-affinity-prediction
Name
volkamerlab's repositories
_static
condor
docker
examples
kinodata
scripts
tests
.gitignore
LICENSE
README.md
cgnn.yaml
cgnn_3d.yaml
dev_config.yaml
dti.yaml
environment.yml
ligand_gin.yaml
mypy.ini
pyproject.toml
setup.py
uv.lock