Legacy CHEESE API
Visualise
Get 2D coordinates for a list of molecules.
This endpoint allows users to get 2D coordinates for a list of molecules.
Parameters:
- search_input (List[str]): The input molecules to get 2D coordinates for.
- search_type (List[str]): The type of 2D coordinates to calculate.
- visualisation_method (List[str]): The method (PCA or UMAP) of dimensionality reduction.
- save_coordinates (bool): Whether to save the visualization coordinates.
- dest (str): Destination path to save the coordinates (default is /tmp/visualization_coordinates).
Returns:
- A JSON response containing the 2D coordinates for the input molecules.
Authorization
APIKeyHeader X-API-Key<token>
In: header
Query Parameters
search_input?array<string>
Default
[ "CC(=O)Oc1ccccc1C(=O)O", "CC(=O)Oc1ccncc1C(=O)O", "CC(=O)Oc1cnccc1C(=O)O"]search_type?EmbNamesNoAll
Type of embeddings to calculate
Default
"morgan"Value in
- "morgan"
- "espsim_electrostatic"
- "espsim_shape"
- "synthongpt"
visualisation_method?VisualisationMethods
Type of visualisation
Default
"umap"Value in
- "umap"
- "pca"
save_coordinates?Save Coordinates
Whether to save the visualization coordinates
Default
falsedest?Dest
Destination path
Default
"/tmp/visualization_coordinates"Response Body
application/json
application/json
curl -X GET "https://example.com/visualise"null