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Conrad Stork

11PUBLICATIONS

58CO-AUTHORS

Radiation and matterProgramming languagesBiologically active moleculesApplications in arts and humanitiesBiomolecular modelling and design

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Publications (11)

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|Dec 16, 2025

AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry.

Bhupalee Kalita, Roman Zubatyuk, Dylan M Anstine

|Sep 17, 2024

MolPipeline: A Python Package for Processing Molecules with RDKit in Scikit-learn.

Jochen Sieg, Christian W Feldmann, Jennifer Hemmerich

|Apr 15, 2024

Tackling assay interference associated with small molecules.

Lu Tan, Steffen Hirte, Vincenzo Palmacci

|Sep 07, 2021

Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop.

Fidele Ntie-Kang, Kiran K Telukunta, Serge A T Fobofou

|Dec 09, 2020

Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules.

Anke Wilm, Ulf Norinder, M Isabel Agea

|Oct 31, 2019

ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance.

Ningning Fan, Christoph A Bauer, Conrad Stork

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Frequent Collaborators

8 joint publications

Johannes Kirchmair

5 joint publications

Christina de Bruyn Kops

4 joint publications

Martin Šícho

2 joint publications

Daniel Svozil

2 joint publications

Ya Chen

1 joint publications

Johannes Wagner

1 joint publications

Nils-Ole Friedrich

1 joint publications

Steffen Hirte

1 joint publications

Angelica Mazzolari

1 joint publications

Alessandro Pedretti

Frequent Collaborators

8 joint publications

Johannes Kirchmair

5 joint publications

Christina de Bruyn Kops

4 joint publications

Martin Šícho

2 joint publications

Daniel Svozil

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