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Interesting work.
If possible, could you provide an example for computing the energy of any given pdb structure using the learned potential? Thanks.
Wei
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Phase envelope worked in the previous version (8.3.2). Sample file based on
[Phase Envelope and Hydrate Curve_Simple Hydrocarbon Mixture.zip](https://github.com/DanWBR/dwsim/files/10359011/Phase.Enve…
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Thanks for releasing the book! I've enjoyed going through it!
Here are some typos that I could spot while reading chapter 18:
- page 361, line 1: missing a comma in the formula; should be $q(z_{…
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This is obviously a big task, but I thought it was worth opening up an issue to discuss.
It would be cool if there was a built in method to calculate and/or aggregate thermodynamic info on bigg react…
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For generic tracers that have a non-zero runoff concentration, the contribution of the runoff to the tracer surface flux is computed separately in MOM_generic_tracer_column_physics:
https://github.co…
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Chen R T Q, Rubanova Y, Bettencourt J, et al. [Neural ordinary differential equations](https://proceedings.neurips.cc/paper/2018/file/69386f6bb1dfed68692a24c8686939b9-Paper.pdf).
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Song Y, Ermon S. [Generative modeling by estimating gradients of the data distribution](https://proceedings.neurips.cc/paper/2019/file/3001ef257407d5a371a96dcd947c7d93-Paper.pdf).
Yang Song. [Generat…
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System.InvalidOperationException: An error occurred creating the form. See Exception.InnerException for details. The error is: Culture is not supported.
Parameter name: culture
3072 (0x0c00) is an …
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Hi all, I went through the MFront gallery but could not find any material model that can be used for predicting the behavior Thermoplastics. Traditional metal plasticity or hyperelasticity models are …
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Song Y, Ermon S. [Generative modeling by estimating gradients of the data distribution](https://arxiv.org/pdf/1907.05600.pdf).