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josejimenezluna authored Sep 21, 2021
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## Structure of the benchmark

Download the benchmark as well as all associated data from here (~85GB, when uncompressed):
Download the benchmark as well as all associated data from [here](https://www.research-collection.ethz.ch/handle/20.500.11850/504716) (~85GB, when uncompressed):

**Update Sept. 16th**: Data is currently being uploaded. It should be available in the next few hours/days.

```bash
wget -O data.tar.gz xxx
wget -O data.tar.gz https://libdrive.ethz.ch/index.php/s/PYc53dCRSuxAiqC/download
tar -xf data.tar.gz
```

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All trained models as well as generated results are also available for download. These can come in handy for result replication without executing the accompanying code, which is can be computationally expensive. These are available here.

Download trained models:
Download trained models (`models.tar.gz`):

```bash
wget -O models.tar.gz
wget -O models.tar.gz https://libdrive.ethz.ch/index.php/s/PYc53dCRSuxAiqC/download
```

And the final results presented in the manuscript:
Logs with training metrics (`logs.tar.gz`):

```bash
wget -O results.tar.gz
wget -O https://libdrive.ethz.ch/index.php/s/PYc53dCRSuxAiqC/download
```

And the final results presented in the manuscript (`results.tar.gz`):

```bash
wget -O results.tar.gz https://libdrive.ethz.ch/index.php/s/PYc53dCRSuxAiqC/download
```

## Citation

If you find this work, code, or parts thereof useful, please consider citing:

```
@article{jimenezluna2021benchmarking,
title={Benchmarking molecular feature attribution methods with activity cliffs},
DOI={10.33774/chemrxiv-2021-pp88m},
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