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adosar authored Sep 17, 2024
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<h1 align="center">
<img alt="AIdsorb logo" src="https://raw.githubusercontent.com/adosar/aidsorb/master/docs/source/images/aidsorb_logo_light.svg" width=40%/>
<picture>
<source media="(prefers-color-scheme: dark)" srcset="https://raw.githubusercontent.com/adosar/aidsorb/master/docs/source/images/aidsorb_logo_dark.svg">
<source media="(prefers-color-scheme: light)" srcset="https://raw.githubusercontent.com/adosar/aidsorb/master/docs/source/images/aidsorb_logo_light.svg">
<img alt="AIdsorb logo" src="https://raw.githubusercontent.com/adosar/aidsorb/master/docs/source/images/aidsorb_logo_light.svg" width=40%/>
</picture>
</h1>

<p align="center">
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This package aims to provide a **simple, easy-to-use and reproduce** interface for:

- 📥 **Creating molecular point clouds**

- 🤖 **Training DL algorithms on molecular point clouds**

<p align="center">
Expand Down Expand Up @@ -63,17 +67,13 @@ Here is a summary of what you can do from the command line:
aidsorb-lit fit --config=path/to/config.yaml
aidsorb-lit test --config=path/to/config.yaml --ckpt_path=path/to/ckpt
```
Currently, only [PointNet](https://arxiv.org/abs/1612.00593) is supported.

## 📰 Citing
If you use AIdsorb in your research, please consider citing the following work:

Currently, not available.
## 💡 Contributing

## 📰 Contributing
🙌 We welcome contributions from the community to help improve and expand this
project!

We welcome contributions from the community to help improve and expand this
project! You can start by 🛠️ [opening an issue](https://github.com/adosar/aidsorb/issues) for:
You can start by 🛠️ [opening an issue](https://github.com/adosar/aidsorb/issues) for:

* 🐛 Reporting bugs
* 🌟 Suggesting new features
Expand All @@ -82,7 +82,15 @@ project! You can start by 🛠️ [opening an issue](https://github.com/adosar/a

We appreciate your efforts to submit well-documented 🔃 [pull
requests](https://github.com/adosar/aidsorb/pulls) and participate in
discussions. 💪 Together, we can make this project even better!
discussions.

💪 Together, we can make this project even better!


## 📑 Citing
If you use **AIdsorb** in your research, please consider citing the following work:

Currently, not available.

## 📑 License
AIdosrb is released under the [GNU General Public License v3.0 only](https://spdx.org/licenses/GPL-3.0-only.html).
## ⚖️ License
**AIdosrb** is released under the [GNU General Public License v3.0 only](https://spdx.org/licenses/GPL-3.0-only.html).

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