Added fingerprint example [skip ci]

Author: ankane

README.md

@@ -18,6 +18,7 @@ Or check out an example:
 - [Embeddings](examples/openai/example.R) with OpenAI
 - [Binary embeddings](examples/cohere/example.R) with Cohere
 - [Sparse search](examples/sparse/example.R) with Text Embeddings Inference
+- [Molecular fingerprints](examples/fingerprint/example.R) with ChemmineR
 
 ## DBI
 

examples/fingerprint/Description

@@ -0,0 +1,8 @@
+Package: example
+Version: 0.1.0
+Imports:
+    ChemmineR,
+    DBI,
+    RPostgres
+Remotes:
+    bioc::release/ChemmineR

examples/fingerprint/example.R

@@ -0,0 +1,20 @@
+# good resource
+# https://www.bioconductor.org/packages/release/bioc/vignettes/ChemmineR/inst/doc/ChemmineR.html
+
+library(ChemmineR)
+library(DBI)
+
+db <- dbConnect(RPostgres::Postgres(), dbname="pgvector_example")
+
+invisible(dbExecute(db, "CREATE EXTENSION IF NOT EXISTS vector"))
+invisible(dbExecute(db, "DROP TABLE IF EXISTS molecules"))
+invisible(dbExecute(db, "CREATE TABLE molecules (id text PRIMARY KEY, fingerprint bit(1024))"))
+
+data(sdfsample)
+fpset <- desc2fp(sdf2ap(sdfsample))
+molecules <- data.frame(id=sdfid(sdfsample), fingerprint=as.character(fpset))
+invisible(dbAppendTable(db, "molecules", molecules))
+
+params <- list(molecules$fingerprint[[1]])
+result <- dbGetQuery(db, "SELECT id FROM molecules ORDER BY fingerprint <%> $1 LIMIT 5", params=params)
+print(result$id)