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blainetrain/FLP-Reactivity-Predictor-1-1

sourceHugging Faceapache-2.0updated 8mo agoView on Hugging Face

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Model Card

FLP Reactivity Predictor 1.1

A chemistry prediction model fine-tuned on Precite platform.

Model Details

—Base Model: seyonec/ChemBERTa-zinc-base-v1
—Fine-tuned On: 14 training samples, 4 validation samples (80/20 split)
—Task: Molecular property prediction (3 classes)
—Epochs: 3
—Training Date: 2026-02-06

Performance Metrics (20% Holdout Test Set)

Metric	Value
Accuracy	0.2500
F1 Score	0.2500
Precision	0.2500
Recall	0.2500
Training Loss	1.3063

Label Classes

—no_reaction
—reaction_occurred
—unknown

Usage

This model can be queried through the Precite platform for FLP chemistry predictions.

python

from transformers import AutoModelForSequenceClassification, AutoTokenizer

model = AutoModelForSequenceClassification.from_pretrained("blainetrain/FLP-Reactivity-Predictor-1-1")
tokenizer = AutoTokenizer.from_pretrained("blainetrain/FLP-Reactivity-Predictor-1-1")

Training Data

See the associated dataset: blainetrain/precite-dataset-FLP-Reactivity-Predictor-1-1