Lill, Markus Alexander

8 publications

ICLRW 2023 Accurate Free Energy Estimations of Molecular Systems via Flow-Based Targeted Free Energy Perturbation Soo Jung Lee, Amr H Mahmoud, Markus Alexander Lill

ICMLW 2023 Constrained Sampling of Discrete Geometric Manifolds Using Denoising Diffusion Probabilistic Models Justin Diamond, Markus Alexander Lill

ICMLW 2023 Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes Justin Diamond, Markus Alexander Lill

ICLRW 2023 Improving Protein-Peptide Interface Predic- Tions in the Low Data Regime Justin Diamond, Markus Alexander Lill

ICLRW 2023 PocketNet: Ligand-Guided Pocket Prediction for Blind Docking Matthew Masters, Amr H Mahmoud, Markus Alexander Lill

ICLRW 2022 Deep Learning Model for Flexible and Efficient Protein-Ligand Docking Matthew Masters, Amr H Mahmoud, Yao Wei, Markus Alexander Lill

ICLRW 2022 High-Content Similarity-Based Virtual Screening Using a Distance Aware Transformer Model Manuel Sebastian Sellner, Amr H Mahmoud, Markus Alexander Lill

ICLRW 2022 Prediction of Molecular Field Points Using Se(3)-Transformer Model Florian Hinz, Amr H Mahmoud, Markus Alexander Lill