Legacy CHEESE API
Embeddings File
Get embeddings for a file of molecules.
This endpoint allows users to get embeddings for a list of molecules uploaded in a CSV file.
Parameters:
- input_file (List[str]): The input file to get embeddings for.
- smiles_col (str) : The column name of SMILES strings in case of a csv file (default 'SMILES')
- search_type (List[str]): The type of embeddings to calculate.
- dest (str): Destination path to save the embeddings (default is /tmp/embeddings).
Returns:
- A JSON response containing the status of the request if it's successful.
Authorization
APIKeyHeader X-API-Key<token>
In: header
Query Parameters
input_file?Input File
Default
""smiles_col?Smiles Col
Default
"SMILES"search_type?EmbNames
Type of embeddings to calculate
Default
"all"Value in
- "all"
- "morgan"
- "espsim_electrostatic"
- "espsim_shape"
- "synthongpt"
dest_folder?Dest Folder
Destination path
Default
"/tmp/embeddings"Response Body
application/json
application/json
curl -X GET "https://example.com/embeddings_file"null