GPT-oss-MOFinder-enriched: chemical info expansion

This repository gives the attempts expanding our default assembly, 8-field chemical reasoning, to more wet-lab procedural details feeding a GPT base model. We reports the performance of finetuned GPT opensource models with 9 or even longer prompting on MOF synthesizability task.

Result

Train fields Inference Test size Accuracy Precision
add "stirring" field Holdout 1320P+ 1275N 0.8347 0.8113
22 questions 11P + 11N 18/22 0.7333
add "vessel_type, vessel_volume_mL, and agitation" fields Holdout 1320P+ 1275N 0.8324 0.8310
22 questions 11P + 11N 18/22 0.7333
default 8-field MOFinder Holdout 1320P+ 1275N 0.8301 0.8273
22 questions 11P + 11N 20/22 0.8462

Usage

from transformers import AutoModelForCausalLM, AutoTokenizer

model_id = "GPT-oss-MOFinder-enriched"
tokenizer = AutoTokenizer.from_pretrained(model_id)
model = AutoModelForCausalLM.from_pretrained(model_id, device_map="auto")

To go throught the quick start details for reprduction, see the official released MOFinder main checkpoint which is well-trained on full-field PN data.

Citation and license

When using these weights, cite MOFinder, identify StarLiu714/GPT-oss-MOF and the Hub revision used, and reference the GPT-oss-20B base model. This release is licensed under the GNU General Public License v3.0; see LICENSE. The underlying GPT-oss-20B model retains its upstream Apache-2.0 license, reproduced in LICENSE.base-model. This release includes MOF fine-tuning changes merged into the base model and a BF16 weight export. MOFinder codebase is separately licensed under MIT.

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