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用Python如何计算径向分布函数? @fqinglee
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Author: **Marcus W Beck**
Topic: water quality synthesis
## Context
The Gulf Coast includes several estuaries that are transitional zones between upstream watershed inputs and downstream oceanic …
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Application: ANSYS 2023.R1 and R2
Cluster: Myriad & Kathleen at least
Description: does fluid dynamics and other macroscopic physics simulations
License: proprietary
Tick…
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Current ELM-FATES simulations can read land cover types and harvest rates information from surface data and pass these information in FATES. No information about harvested C flux into wood product poo…
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It would be good to have some fleshed out use cases to understand what this file format will (and won't!) support. Here's a brainstormed list that probably reflects my biases:
Biomolecular
- A protei…
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I don't have the time at the moment to go into this in as much detail (or with as much thinking through) as I would like but I wanted to get it out there so it has a chance to make the agenda for the …
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By using the following prompt, I generated metacognitive structures necessary to trigger emergence of recursively improving theory of mind and critical thinking.
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This is a thread to discuss the creation of a tutorial showing how to implement funnel metadynamics within BioSimSpace.
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I wonder if we could also support torch models used as `Integrator`s in OpenMM.
Perhaps something like this could work:
```python
import torch
class IntegratorModule(torch.nn.Module):
"""…
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I am running temperature replica exchange simulations on small coarse-grained oligomer systems (containing a single chain), and have been using an ensemble validation check on the energies for thermod…