Transfer learning for chemically accurate interatomic neural network potentials. Physical chemistry, chemical physics, (25)7:5383-5396, Royal Society of Chemistry, 2023. [PUMA: mult ubs_10003 ubs_10008 ubs_20003 ubs_20013 ubs_30039 ubs_30126 ubs_40065 ubs_40066 unibibliografie wos]
On the accuracy of the epigenetic copy machine : comprehensive specificity analysis of the DNMT1 DNA methyltransferase. Nucleic acids research, (51)13:6622-6633, Oxford University Press, 2023. [PUMA: abgleich mult ubs_10003 ubs_10008 ubs_20003 ubs_20013 ubs_30126 ubs_30187 ubs_40354 ubs_40439 unibibliografie]
Reversible switching and stability of the epigenetic memory system in bacteria. The FEBS journal, (290)8:2115-2126, Wiley, 2022. [PUMA: mult oa sent ubs_10003 ubs_10008 ubs_20003 ubs_20013 ubs_30126 ubs_30187 ubs_40354 ubs_40439 unibibliografie]
Bayesian estimation reveals that reproducible models in Systems Biology get more citations. Scientific reports, (13):2695, Springer, 2023. [PUMA: f2023 gold mult oa oafonds transform ubs_10003 ubs_10008 ubs_20003 ubs_20013 ubs_30126 ubs_30187 ubs_40353 ubs_40439 unibibliografie]
Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v3]. 2023. [PUMA: darus mult ubs_10003 ubs_10008 ubs_10021 ubs_20003 ubs_20013 ubs_20019 ubs_30039 ubs_30126 ubs_30165 ubs_40065 ubs_40202 unibibliografie]
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials. 2023. [PUMA: darus mult ubs_10003 ubs_10008 ubs_10021 ubs_20003 ubs_20013 ubs_20019 ubs_30039 ubs_30126 ubs_30165 ubs_40065 unibibliografie]
Predicting properties of periodic systems from cluster data : A case study of liquid water. The journal of chemical physics, (156)11:114103, American Institute of Physics, 2022. [PUMA: mult ubs_10003 ubs_10008 ubs_20003 ubs_20013 ubs_30039 ubs_30126 ubs_40065 unibibliografie wos]
Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v2]. 2022. [PUMA: darus mult ubs_10003 ubs_10008 ubs_10021 ubs_20003 ubs_20013 ubs_20019 ubs_30039 ubs_30126 ubs_30165 ubs_40065 ubs_40202 unibibliografie]
Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v1]. 2022. [PUMA: darus mult ubs_10003 ubs_10008 ubs_10021 ubs_20003 ubs_20013 ubs_20019 ubs_30039 ubs_30126 ubs_30165 ubs_40065 ubs_40202 unibibliografie]
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments. 2021. [PUMA: darus mult ubs_10003 ubs_10008 ubs_10021 ubs_20003 ubs_20013 ubs_20019 ubs_30039 ubs_30126 ubs_30165 ubs_40065 ubs_40202 unibibliografie]
Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments. Journal of Chemical Theory and Computation, (17)10:6658-6670, ACS Publications, 2021. [PUMA: mult sent ubs_10003 ubs_10008 ubs_20003 ubs_20013 ubs_30039 ubs_30126 ubs_40065 unibibliografie]