Prot_bert-finetuned-smiles-bindingDB Open-source Model - Accurately Predict Protein-SMILES Interactions

Home

Prot Bert Finetuned Smiles Bindingdb

Developed by nepp1d0

Protein-SMILES interaction prediction model fine-tuned based on Rostlab/prot_bert

Large Language Model

Transformers

#Protein sequence analysis #Drug binding prediction #Biomedical fine-tuning

Downloads 26

Release Time : 5/1/2022

Model Overview

This model is a fine-tuned version of prot_bert on protein-SMILES interaction datasets, primarily used for predicting binding properties between proteins and small molecules (SMILES).

Model Features

Protein sequence understanding

Capable of effectively understanding protein sequence features and structural information

SMILES encoding processing

Can process SMILES representations of chemical small molecules

Fine-tuning optimization

Targeted fine-tuning performed on BindingDB-related datasets

Model Capabilities

Protein sequence feature extraction

Small molecule-protein interaction prediction

Biomolecular binding property analysis

Use Cases

Drug discovery

Virtual screening

Predict the binding likelihood of candidate drug molecules with target proteins

Drug repositioning

Discover potential interactions between existing drugs and novel targets

Biochemical research

Protein-ligand interaction analysis

Study the binding properties of proteins with various small molecule ligands

Training Loss	Epoch	Step	Validation Loss
1.6942	1.0	10000	1.4153
1.3261	2.0	20000	1.2679
1.2467	3.0	30000	1.2300

Featured Recommended AI Models

Empowering the Future, Your AI Solution Knowledge Base

English 简体中文繁體中文にほんご

Prot Bert Finetuned Smiles Bindingdb

Model Overview

Model Features

Model Capabilities

Use Cases

🚀 prot_bert-finetuned-smiles-bindingDB

🚀 Quick Start

📚 Documentation

Model description

Intended uses & limitations

Training and evaluation data

Training procedure

Training hyperparameters

Training results

Framework versions