Upload README.md with huggingface_hub
Browse files
README.md
CHANGED
|
@@ -71,38 +71,3 @@ year={2020}
|
|
| 71 |
```
|
| 72 |
|
| 73 |
|
| 74 |
-
## Dataset Details
|
| 75 |
-
|
| 76 |
-
### Dataset Description
|
| 77 |
-
|
| 78 |
-
Molecular Sets (MOSES) is a benchmark platform
|
| 79 |
-
for distribution learning based molecule generation.
|
| 80 |
-
Within this benchmark, MOSES provides a cleaned dataset of molecules that are ideal of optimization.
|
| 81 |
-
It is processed from the ZINC Clean Leads dataset.
|
| 82 |
-
|
| 83 |
-
- **Curated by: Adrian Mirza, Michael Pieler and Kevin Maik Jablonka**
|
| 84 |
-
- **License:** CC BY 4.0
|
| 85 |
-
|
| 86 |
-
### Dataset Sources
|
| 87 |
-
|
| 88 |
-
- [Article about original dataset](https://arxiv.org/abs/1811.12823)
|
| 89 |
-
- [Link to publication of associated dataset - zinc](https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00559)
|
| 90 |
-
- [Github repository concerning the dataset](https://github.com/molecularsets/moses)
|
| 91 |
-
|
| 92 |
-
## Citation
|
| 93 |
-
|
| 94 |
-
<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->
|
| 95 |
-
|
| 96 |
-
**BibTeX:**
|
| 97 |
-
|
| 98 |
-
```bibtex
|
| 99 |
-
@article{10.3389/fphar.2020.565644,
|
| 100 |
-
title={{M}olecular {S}ets ({MOSES}): {A} {B}enchmarking {P}latform for {M}olecular {G}eneration {M}odels},
|
| 101 |
-
author={Polykovskiy, Daniil and Zhebrak, Alexander and Sanchez-Lengeling, Benjamin and Golovanov,
|
| 102 |
-
Sergey and Tatanov, Oktai and Belyaev, Stanislav and Kurbanov, Rauf and Artamonov,
|
| 103 |
-
Aleksey and Aladinskiy, Vladimir and Veselov, Mark and Kadurin, Artur and Johansson,
|
| 104 |
-
Simon and Chen, Hongming and Nikolenko, Sergey and Aspuru-Guzik, Alan and Zhavoronkov, Alex},
|
| 105 |
-
journal={Frontiers in Pharmacology},
|
| 106 |
-
year={2020}
|
| 107 |
-
}
|
| 108 |
-
```
|
|
|
|
| 71 |
```
|
| 72 |
|
| 73 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|