Legacy CHEESE API
Database Similarity
Estimate distance between two databases based on centroid embeddings.
This endpoint returns the distance score between two databases. This functionality assumes that inference was already performed on the databases !
Parameters:
- db_name (str): The name of the database.
- target_db_name (str): The name of the database against which to compare.
- similarity_metric (str): The type of similarity to get.
- sim_mode (str): The mode of similarity. 'centroid' computes similarity between the centroids of centroids of the databases. 'batch' computes average similarity between the database centroids
Returns:
- A JSON response containing the centroid embeddings.
Authorization
APIKeyHeader X-API-Key<token>
In: header
Query Parameters
db_name?DatabaseEnumAll
Selected database
Default
"CHEMINFINITA-SYNTHON"Value in
- "CHEMINFINITA-SYNTHON"
- "CHEMRIYA"
- "CHEMSPACE-5B-BEYOND-RO5"
- "CHEMSPACE-5B-FREEDOM"
- "CHEMSPACE-5B-RO5"
- "CHEMSPACE-FREEDOM-SYNTHON"
- "CHEMSPACE-SCREENING"
- "EMOLECULES-EXPLORE-SYNTHON"
- "EMOLECULES-SYNPLE-SYNTHON"
- "ENAMINE-AA"
- "ENAMINE-REAL"
- "ENAMINE-REAL-V5A-SYNTHON"
- "EXPLORE-DIVERSE"
- "EXPLORE-ENUMERATED"
- "MCULE-FULL"
- "MCULE-IN-STOCK"
- "MOLECULE-ONE"
- "MOLECULEONE-D2B-SYNTHON"
- "MOLPORT"
- "SYNPLE-4B"
- "XTALPI"
- "XTALPI-SYNTHON"
- "ZINC15"
target_db_name?DatabaseEnumAll
Target database against whichto compare to
Default
"CHEMINFINITA-SYNTHON"Value in
- "CHEMINFINITA-SYNTHON"
- "CHEMRIYA"
- "CHEMSPACE-5B-BEYOND-RO5"
- "CHEMSPACE-5B-FREEDOM"
- "CHEMSPACE-5B-RO5"
- "CHEMSPACE-FREEDOM-SYNTHON"
- "CHEMSPACE-SCREENING"
- "EMOLECULES-EXPLORE-SYNTHON"
- "EMOLECULES-SYNPLE-SYNTHON"
- "ENAMINE-AA"
- "ENAMINE-REAL"
- "ENAMINE-REAL-V5A-SYNTHON"
- "EXPLORE-DIVERSE"
- "EXPLORE-ENUMERATED"
- "MCULE-FULL"
- "MCULE-IN-STOCK"
- "MOLECULE-ONE"
- "MOLECULEONE-D2B-SYNTHON"
- "MOLPORT"
- "SYNPLE-4B"
- "XTALPI"
- "XTALPI-SYNTHON"
- "ZINC15"
similarity_metric?EmbNamesNoAll
The similarity metric
Default
"morgan"Value in
- "morgan"
- "espsim_electrostatic"
- "espsim_shape"
- "synthongpt"
distance_type?DistanceType
Select Vector Distance
Default
"euclidean"Value in
- "euclidean"
- "cosine"
sim_mode?SearchModes
The mode of similarity
Default
"centroid"Value in
- "centroid"
- "batch"
Response Body
application/json
application/json
curl -X GET "https://example.com/database_similarity"null