Volkamer Lab

teachopencadd Public
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

Jupyter Notebook 362 CC-BY-4.0 123 22 6 Updated Jul 4, 2022
kinase_similarity_pipeline_paper Public
Kinase Similarity Assessment Pipeline For Off-Target Prediction

TeX 0 CC-BY-4.0 0 1 0 Updated Jun 23, 2022
opencadd Public
A Python library for structural cheminformatics

Python 56 MIT 12 22 4 Updated Jun 6, 2022
cicag_klifs_workshop Public
CICAG workshop on KLIFS, OpenCADD-KLIFS, and KiSSim

Jupyter Notebook 1 2 0 0 Updated May 20, 2022
KinFragLib Public
Kinase-focused fragment library

Jupyter Notebook 48 MIT 13 8 0 Updated May 15, 2022
kissim_app Public
Kinome-wide structural pocket similarity

Jupyter Notebook 7 MIT 1 4 0 Updated May 15, 2022
kissim Public
Subpocket-based fingerprint for kinase pocket comparison

Python 19 MIT 4 5 0 Updated May 15, 2022
volkamerlab_org Public
Hugo website for volkamerlab.org

CSS 5 6 10 (1 issue needs help) 0 Updated May 9, 2022
toxsmi Public
Toxicity prediction models

Python 1 MIT 6 0 0 Updated Feb 17, 2022
ai_in_medicine Public

Jupyter Notebook 20 7 1 0 Updated Feb 14, 2022

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