Volkamer Lab's repositories
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
KinFragLib
Kinase-focused fragment library
kissim_app
Kinome-wide structural pocket similarity
klifs_utils
Utility functions to work with KLIFS data
KinaseFocusedFragmentLibrary
Subpocket-based fragmentation and recombination of kinase inhibitors
volkamerlab_org
Hugo website for volkamerlab.org
covid19-SBapproach
Attempts to find hits against covid19
DL_in_VS_review
Deep learning in virtual screening, a review
TeachOpenCADD-BindingSiteDetection
TeachOpenCADD talktorial on binding site detection
kinodata-3D
Protein kinase-ligand complex generation using template docking
lab_repos_check
Check the CI status of the Volkamer Lab's repositories
Transformers4MPP_review
Supplementary information for creating the figures in the review
cicag_klifs_workshop
CICAG workshop on KLIFS, OpenCADD-KLIFS, and KiSSim
kinase_similarity_pipeline_paper
Kinase Similarity Assessment Pipeline For Off-Target Prediction
kinodata-3D-affinity-prediction
DL models to test added value of using generated complex data for affinity prediction
OpenCADDSuperpositionBenchmark
Benchmarking the OpenCADD superposition methods