clamnp – AI Model by kohbanye | AlphaNeural AI

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kohbanye/
clamnp

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cheminformatics

natural-products

endpoints_compatible

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CLaM-NP

SMILES language models for natural-product-likeness scoring (CLaM-NP Score).

This repository hosts up to three causal language models, one per subfolder:

Subfolder	Training data	Role
`natural`	COCONUT	P(x \| natural)
`synthetic`	ZINC22	P(x \| synthetic)
`general`	ChEMBL	P(x \| general) — stabilizer

Tokenizer: kohbanye/SmilesTokenizer_PubChem_1M.

Usage

python

from clamnp import CLaMNPScorer

scorer = CLaMNPScorer.from_pretrained()          # this repo
print(scorer.score("CC(=O)Oc1ccccc1C(=O)O"))         # CLaM-NP Score

Or load a single model directly:

python

from transformers import AutoModelForCausalLM
model = AutoModelForCausalLM.from_pretrained("kohbanye/clamnp", subfolder="natural")