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Johannes C. B. Dietschreit

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2020 – today

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2024
[i4]
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  - journals/corr/abs-2402-01542
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  - https://dblp.org/rec/journals/corr/abs-2402-01542
Soojung Yang, Juno Nam, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli:
Learning Collective Variables for Protein Folding with Labeled Data Augmentation through Geodesic Interpolation. CoRR abs/2402.01542 (2024)
[i3]
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  - journals/corr/abs-2402-03753
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Aik Rui Tan, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli:
Enhanced sampling of robust molecular datasets with uncertainty-based collective variables. CoRR abs/2402.03753 (2024)
2023
[c1]
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  - conf/icml/SipkaDGG23
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Martin Sípka, Johannes C. B. Dietschreit, Lukás Grajciar, Rafael Gómez-Bombarelli:
Differentiable Simulations for Enhanced Sampling of Rare Events. ICML 2023: 31990-32007
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  - journals/corr/abs-2301-03480
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Martin Sípka, Johannes C. B. Dietschreit, Lukás Grajciar, Rafael Gómez-Bombarelli:
Differentiable Simulations for Enhanced Sampling of Rare Events. CoRR abs/2301.03480 (2023)
[i1]
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  - journals/corr/abs-2305-01754
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Aik Rui Tan, Shingo Urata, Samuel Goldman, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli:
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles. CoRR abs/2305.01754 (2023)

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