molenc

Molecular encoder/featurizer using rdkit and OCaml
Library molenc
Module Molenc . Bloom
module A = BatArray
module Fp = Fingerprint
module L = BatList
module Log = Dolog.Log
type t = int array array
val distinct_rands : Random.State.t -> int -> int -> int list
val init : int -> int -> int -> int * int * int * int array array
val encode : ('a * int * int * int array array) -> ( int, 'b, 'c ) Fp.BA1.t -> int array