FLP-Reactivity-Predictor-1-1 – AI Model by blainetrain | AlphaNeural AI

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blainetrain/
FLP-Reactivity-Predictor-1-1

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blainetrain/precite-dataset-FLP-Reactivity-Predictor-1-1

seyonec/ChemBERTa-zinc-base-v1

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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