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**Describe the issue:**
This repo is based on the [create-best-of-list](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md) guide, which in turn relies on the [https://gi…
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As we are not the first who think about workflows I wanted to start collecting a few more interesting papers:
* https://doi.org/10.1371/journal.pcbi.1011369
* https://www.nature.com/articles/s41524-…
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- [x] Add category
- [x] Update category:
**Category details:**
Currently, the distribution of projects among categories is very uneven.
```
Active learning 4 projects
Bio…
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Background, dataloader slows down over time, especially when using a large number of slides; data that is persistent in memory loads quickly (case for very small number sslides), but not when training…
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### Name
Josh Vita
### Email
vita1@llnl.gov
### Dataset name
SRO_in_HEAs_2024
### Authors
Yifan Cao, Killian Sheriff, Rodrigo Freitas
### Publication link
https://arxiv.org/abs/2401.06622
##…
jvita updated
2 months ago
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As in https://github.com/openmm/openmm-torch/issues/33, I am trying to implement a SchNet neural network into OpenMM for md simulations. I wrote the ForceModule as in https://github.com/openmm/openmm-…
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Thanks for creating `best-of-atomistic-machine-learning` project, this is a valuable resource. Some of [my projects](https://github.com/knc6) are included in the list. Here are few others that can be …
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Please find below a conversation with @ceriottm , who kindly agreed (suggested, actually) to share this here as a record of the reasoning behind the current scope of the `atomistic.software` list and …
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I'm executing
`gschnet_train --config-dir=/home/huzheyu/ai_lab/gener_ai/test experiment=gschnet_qm9`
but get the error
```
Cannot find primary config 'train'. Check that it's in your config search…
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**Problem and motivation:**
The scientific community / research software development (RSE) community also makes extensive use of awesome-like lists. These typically collect publications, re…