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jkarolczak committed Oct 21, 2024
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14 changes: 9 additions & 5 deletions README.md
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To reproduce the results, use scripts from the `scripts` directory.
Configuration files for the experiments are available in the `cfg` directory.

Weights of the model that was revealed as the best in the paper are published
We provide weights of the model trained on cryoEM and X-ray crystallography
as `model.pt` ([link](https://github.com/jkarolczak/ligand-classification/blob/main/model.pt)).

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## Demo

The best model from the paper can be tested without the need to install anything.
The model trained on blobs from cryoEM and X-ray crystallography can be tested without the need to install
anything.
The model is deployed as a Streamlit app under the link [ligands.cs.put.poznan.pl](https://ligands.cs.put.poznan.pl).

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## API

The Ligand Classification API provides endpoints for classifying ligands from 3D point cloud data using the best model
from paper. The API supports various file formats for point cloud input and returns the top 10 predicted ligand classes
along with their probabilities.
The Ligand Classification API provides endpoints for classifying ligands from 3D point cloud data using a model trained
on all the data mentioned in the paper, including blobs from cryoEM and X-ray crystallography.
The API supports various file formats for point cloud input and returns the top 10 predicted ligand classes along with
their probabilities.

Each user is limited to one request per second.

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