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Already ase interface exists for this potential in python packages along with training.
See for example :
[PyNEP](https://github.com/bigd4/PyNEP)
[calorine](https://gitlab.com/materials-modeling/c…
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[AIMNet2](https://chemrxiv.org/engage/chemrxiv/article-details/662fbc9491aefa6ce1bebb89) and [OrbNet Denali](https://arxiv.org/abs/2107.00299) are both machine-learned interactomic potentials that can…
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The tester now supports all WordPress plugins and themes and is designed to continuously run tests.
Unfortunately, GitHub offers only 2000 minutes of Action runs for free and after that, [it's 0.00…
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For score based diffusion models in machine learning we have a function which computes the gradient of the potential (score) that is learned. It would be really nice if it was possible for HMC and NUT…
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## Goal
* to be able to run a full simulatoin using a machine-learned potential
* The descriptor calculation and ML model evaluation shoudl happen direclty from the C++ core, to obtain good scaleabil…
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### 8. **Input and Output Flows:**
- **Flow Diagram:**
- [Include a visual representation of input and output flows]
- [Implement zoom functionality using a polynomial vector]
### 7. **…
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https://arxiv.org/pdf/1906.01629
```bib
@misc{gasse2019exactcombinatorialoptimizationgraph,
title={Exact Combinatorial Optimization with Graph Convolutional Neural Networks},
author…
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The [DCMI Namespace Policy](http://dublincore.org/documents/dcmi-namespace/), Section 3C, says:
> Changes of definitions within DCMI recommendations and/or DCMI term declarations will be reflected …
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As a thought experiment, I'll attempt to fill out this schema as if I were a character in a complex, futuristic world. Keep in mind that this is a highly subjective and creative interpretation, and t…
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- [X] I have searched the existing issues
## Feature Description
### HeartBeat Classification using ECG
This project focuses on developing a system for classifying heartbeats using Electr…