pack_fingerprint#

class nvmolkit.fingerprints.pack_fingerprint(fp: Tensor)#

Pack a 2D boolean tensor of shape (n_fps, fingerprint_size) into a 32-bit integer-encoded fingerprint.

Parameters:

fp – A boolean tensor of shape (n_fps, fp_size)

Returns:

A tensor of shape (n_fps, fp_size / 32) containing packed fingerprints (rounded up to the nearest multiple of 32)